CERN Document Server

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

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International Nuclear Information System (INIS)

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

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

International Nuclear Information System (INIS)

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

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 ...

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 ...

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

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

International Nuclear Information System (INIS)

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

CERN Document Server

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

CERN Document Server

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

CERN Document Server

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

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 ...

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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 ...

CERN Document Server

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

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

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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.

CERN Document Server

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

International Nuclear Information System (INIS)

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

CERN Document Server

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

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

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, ...

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

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 ...

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

Abstract Simon Saunders and David Wallace have proposed an attractive semantics for interpreting linguistic communities embedded in an Everettian multiverse. It provides a charitable interpretation of our ordinary talk about the future, and allows us to retain a principle of bivalence for propositions and to retain the law of excluded middle in the logic of propositions about the future. But difficulties arise when it comes to providing an appropriate account of the metaphysics of macroscopic objects and events. I evaluate various metaphysical frameworks which might be combined with the Saunders-Wallace semantics. I conclude that the most appropriate metaphysics to underwrite the semantics renders Everettian quantum mechanics a theory of non-overlapping worlds.

British Library Electronic Table of Contents (United Kingdom)

A detailed chemical kinetic reaction mechanism is developed for primary reference fuel mixtures of n-hexadecane and 2,2,4,4,6,8,8-heptamethyl nonane for diesel cetane ratings. The mechanisms are constructed using existing rules for reaction pathways and rate expressions developed previously for the primary reference fuels for gasoline octane ratings, n-heptane and iso-octane. These reaction mechanisms are validated by comparisons between computed and experimental results for shock tube ignition and for oxidation under jet-stirred reactor conditions. The combined kinetic reaction mechanism contains the submechanisms for the primary reference fuels for diesel cetane ratings and submechanisms for the primary reference fuels for gasoline octane ratings, all in one integrated large kinetic reac...

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The development of detailed chemical kinetic reaction mechanisms for analysis of autoignition and knocking of hydrocarbon fuels is described. In particular, kinetic processes of concern for the oxidation of complex hydrocarbon fuel molecules are emphasized. The wide ranges of temperature and pressure which are encountered by end gases in automobile engine combustion chambers result in extreme demands on reaction mechanisms which are intended to describe knocking conditions and predict rates of combustion and ignition. The reactions and chemical species which are most important in each temperature and pressure regime are discussed, and the validation of these reaction mechanisms through comparison with idealized experimental results is described. 53 refs., 8 figs., 5 tabs.

CERN Document Server

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

International Nuclear Information System (INIS)

An 'electron-bridge' mechanism of nuclear reaction in an atom or ion by ultra-intense laser fields is presented. A preliminary estimate of the intensity dependence of the rate of disintegration reaction of deuteron nucleus in deuterium atom is made for 800 nm laser fields. For intensities below 5x1021 W/cm2, the rate of disintegration by the 'electron-bridge' mechanism is found to be small, but it rises sharply and becomes large already for ?1022 W/cm2.

UK PubMed Central (United Kingdom)

Quantum computing is a quickly growing research field. This article introduces the basic concepts of quantum computing, recent developments in quantum searching, and decoherence in a possible quantum...Full Text Available

CERN Document Server

Inspired by the work of Feynman, Deutsch, We formally propose the theory of physical computability and accordingly, the physical complexity theory. To achieve this, a framework that can evaluate almost all forms of computation using various physical mechanisms is discussed. Here, we focus on using it to review the theory of Quantum Computation. As a preliminary study on more general problems, some examples of other physical mechanism are also given in this paper.

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The OH-initiated photo-oxidation of n-butane was used as a source of 1- and 2-butoxy radicals. Reactions producing ketones and other organic compounds are explained. Rates of photolysis were determined and are discussed.

CERN Document Server

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

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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 synthesis of novel b-functionalized derivatives of the clinically used photosensitizer Temoporfin has been achieved by nucleophilic addition reactions to a corresponding diketo chlorin. The b-substituted dihydroxychlorin products exhibit a strong absorption in the red spectral region, a high singlet oxygen quantum yield, and were found to be highly effective in in vitro assays against HT-29 tumor cells.

Science.gov (United States)

Low-frequency current noise and current-voltage (I-V) characteristics have been studied in InAs/GaAs self-assembled Quantum Dot Infrared Photodetectors in dark conditions and under illumination, at T = 77K and T = 5K. The noise behavior is consistent with a generation-recombination fluctuation process mainly related to thermally excited charge carriers at T = 77K. At T = 5K the current noise is consistent with a mechanism of fluctuations driven by the electric field, related to tunneling rather than emission-capture of charge carriers from the Quantum Dots. A very effective noise suppression mechanism, related to the tunneling regime, determines a decrease of fluctuation intensity as a function of the voltage. At T = 5K, an interesting behavior is observed in the current-voltage and noise power spectra for some of nominally identical QDIP structures in the presence of irradiation. Some devices indeed ...

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Detailed chemical kinetic reaction mechanisms have been developed to describe the pyrolysis and oxidation of nine n-alkanes larger than n-heptane, including n-octane (n-C{sub 8}H{sub 18}), n-nonane (n-C{sub 9}H{sub 20}), n-decane (n-C{sub 10}H{sub 22}), n-undecane (n-C{sub 11}H{sub 24}), n-dodecane (n-C{sub 12}H{sub 26}), n-tridecane (n-C{sub 13}H{sub 28}), n-tetradecane (n-C{sub 14}H{sub 30}), n-pentadecane (n-C{sub 15}H{sub 32}), and n-hexadecane (n-C{sub 16}H{sub 34}). These mechanisms include both high temperature and low temperature reaction pathways. The mechanisms are based on our previous mechanisms for the primary reference fuels n-heptane and iso-octane, using the reaction class mechanism construction first developed for n-heptane. Individual reaction class rules are as simple as possible ...

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Using the PMR method the interaction of zirconium and hafnium tetrachlorides with tri.tet.butylphenyl ester of 1,2- naphthoquinonediazide (2)-5-sulfonic acid is studied. The formation of MCl/sub 4/xNQD complexes is established, the equilibrium constants and thermodynamic parameters of complexing reaction are determined. The presence of rapid ligand exchange, proceeding according to associative mechanism, is detected. The rate constants and activation energies of the exchange reaction are calculated.

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The kinetics of the reaction of carbon dioxide in MDEA solutions were studied both experimentally and theoretically. It is concluded that MDEA acts as a homogeneous catalyst for CO/sub 2/ hydrolysis, and as a result the rate of absorption in aqueous MDEA solutions is significantly larger than one would calculate by simply taking into account the alkalinity of the reaction. A possible zwitterion mechanism is proposed for this reaction. The minor effect of ionic strength were also studied with the presence of other ions. 19 references, 6 figures.

International Nuclear Information System (INIS)

With the assistance of mechanical activation, yttrium-stabilized #alpha#-SiAlON was prepared by combustion synthesis in air, instead of high-pressure N_2 atmosphere for the first time. The reaction activity of metallic particles was remarkably enhanced by mechanical activation, which conduced the reduction of grain size, increased the total surface area and formation of fresh surface. The formation of #alpha#-SiAlON by combustion synthesis in air was explained by a kinetically induced reaction mechanism, in which both initial formation of #alpha#-SiAlON and following avoidance of oxidation were fulfilled by the retardation of O_2 infiltration owing to the short reaction period and fast cooling rate.

CERN Document Server

We show that the holographic principle in quantum gravity imposes a strong constraint on life. The degrees of freedom of an organism can be estimated according to the theory of Boolean networks, which is constrained by the entropy bound. Hence we can explain the languages in protein sequences or in DNA sequences. The overall evolution of biological complexity can be illustrated. And some general properties of protein length distributions can be explained by a linguistic mechanism.

International Nuclear Information System (INIS)

The propagation of tachyons in an expanding universe is discussed. It is shown that a primordial tachyon in the big bang universe cannot survive unless it had very large energy initially. In an indefinitely expanding universe the tachyon trajectory turns back in time. This time barrier is found to exist even in the quantum mechanical discussion of tachyons. This property is used to set limits on the mass of a tachyon. The possible astronomical checks on the hypothesis that neutrinos or photons may be tachyonic are also discussed.

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We discuss the origin of Bloom-Gilman duality and the relationship between resonances and scaling in deep-inelastic scattering. We present a simple quantum mechanical model which reproduces the essential features of Bloom-Gilman duality at low Q{sup 2}, and describe applications of local duality relating structure functions at x{approximately}1 and elastic electromagnetic form factors.

International Nuclear Information System (INIS)

In recent years there has been a renewed interest in the treatment of quantum mechanics in terms of joint distribution functions, i.e. functions of momentum and position coordinates p and q. The author considers j.d.f. in the sense of classical probability theory of a stochastic variable. The j.d.f. is then interpreted as the probability that the variables p and q have certain values, the variables being considered as a property possessed by the object system. This formalism is used to provide a unified description of bradyons and tachyons. (Auth.).

Science.gov (United States)

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

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The possible role of space-like objects in elementary particle physics (and in quantum mechanics) is reviewed and discussed, mainly by exploiting the explicit consequences of the peculiar relativistic mechanics of Tachyons. Particular attention is paid: (i) to tachyons as the possible carriers of interactions; (ii) to the possibility of ''vacuum decays'' at the classical level; (iii) to a Lorentz-invariant bootstrap model; (iv) to the apparent shape of the tachyonic elementary particles and its possible connection with the de Broglie wave-particle dualism. (author).

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The formalism of statistical mechanics of particles slower than light has been considered from the point of view of the application of this formalism for the description of tachyons. Properties of ideal gases of tachyons have been discussed in detail. After finding general formulae for quantum, Bose and Fermi gases the classical limit has been considered. It has been shown that Bose-Einstein condensation occurs. The tachyon gas of bosons violates the third principle of thermodynamics. Degenerated Fermi gas has been considered and in this case the entropy vanishes at zero temperature. Difficulties of formulating covariant statistical mechanics have been discussed.

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)

Multi-core MgB_2/Ti/Cu/SS composite wire has been made by the in situ approach. Mechanical properties, interdiffusion reactions and critical currents were studied after heat treatments at temperatures between 500 and 850 "0C. Cu diffusion into the Ti layer occurs for all samples, resulting in the formation of intermetallic compounds at the Cu/Ti interface. EDX analysis has revealed the temperature dependence of all interface reactions. In spite of element reactions the critical current densities 10"5 A cm"-"2 and 10"4 A cm"-"2 were measured in liquid helium at magnetic fields 5 T and 9.5 T, respectively. 10"4 A cm"-"2 at 20 K is measured in an external field of 4 T.

British Library Electronic Table of Contents (United Kingdom)

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

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

CERN Document Server

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

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This experiment is carried out in the series of the investigation on the damage mechanism of carbon steel. In this paper, the damage situation is considered by structure observations. The test were carried out in 600degC-1200degC temperature range, in blowing an argon gas. The reagents are Na{sub 2}O, Na{sub 2}O{sub 2} and NaOH. From structure observations, the holes are observed on the surface of iron-base material in some test conditions. This result is indicated that the selective reaction occurs. The selective reaction is more obvious as the time exposed to the high temperature is longer. It is considered that the selective reaction occurs after the chemical reaction between iron-base material and sodium compound. The areas, in which Mn-concentration is higher, are observed in products on the surface of specimen. (author)

International Nuclear Information System (INIS)

Heterogeneous gasless reactive systems, including high-energy density metal-nonmetal compositions, have seen increasing study due to their various applications. However, owing to their high reaction temperature, short reaction time, and small scale of heterogeneity, investigation of their reaction mechanisms and kinetics is very difficult. In this study, microstructural changes and the kinetics of product layer growth in the W-Si system was investigated using a high-speed x-ray phase-contrast imaging technique. Using the Advanced Photon Source of Argonne National Laboratory, this method allowed direct imaging of irreversible reactions in the W-Si reactive system at frame rates up to 36 000 frames per second with 4 #mu#s exposure and spatial resolution of 10 #mu#m. Details of the Si melt and reactions between W and Si, that are unable to be viewed with ...

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The cracking of 2-methylpentane on USHY at 300, 400, 450, and 500[degrees]C is interpreted in detail in terms of a chain mechanism. The kinetic equation developed from this mechanism fits the experimental data very well. The contribution of chain processes to the overall rate of conversion depends on the kinetic chain length, which in turn depends on the surface coverage by carbenium ions and their reactivities. Kinetic parameters were obtained at all four temperatures. A detailed examination of the kinetics shows that chain processes are more important at low reaction temperatures, whereas protolytic cracking dominates at higher temperatures. The parameters also show that both competitive inhibition by products and the rate of catalyst decay increase with increasing reaction temperature. Furthermore, they show that carbenium ions formed on Broensted sites are more stable than carbonium ions. 39 refs., ...

UK PubMed Central (United Kingdom)

Performance on serial tasks is influenced by first- and higher-order sequential effects, respectively due to the immediately previous and earlier trials. As response-to-stimulus interval (RSI)...Full Text Available

International Nuclear Information System (INIS)

Probabilities of flucton production have been calculated for the 1p-shell nuclei and its modification by the Yastrov method. The results obtained are in a qualitative agreement with the data resulting from the analysis of experiment in an assumption of a flucton mechanism of proton-nuclear inclusive reactions with the production of cumulative particles.

Energy Technology Data Exchange (ETDEWEB)

The development of detailed chemical kinetic reaction mechanisms for oxidation of n-octane and iso-octane is described, with emphasis on the factors which are specific to many large hydrocarbon fuel molecules. Elements which are of particular importance are found to include site-specific abstraction of H atoms, radical isomerization of alkyl radicals by internal H atom abstraction, and rapid ..beta..-scission of the alkyl radicals. These features, combined with distinctions in the types of intermediate olefin species produced, are used to explain the significant differences in the rate of oxidation between n-octane and iso-octane. Experimental results from the turbulent flow reactor and low pressure laminar flames, using both n-octane and iso-octane as fuels, are used to test the reaction mechanisms and indicate those parts of the total mechanisms which are in greatest need of ...

Energy Technology Data Exchange (ETDEWEB)

An investigation of the mechanism of the oxidation and ammoxidation of propylene was made. The products of the above reactions were acrylonitrile and acrolein for ammoxidation and oxidation, respectively. Also, the ammoxidation and oxidation of allyl alcohol, allyl amine, and their allylic deuterium substituted analogues was studied. It was concluded that oxidation and ammoxidation of propylene have the same rate determining step. Other conclusions about the reaction intermediates were also made.

Energy Technology Data Exchange (ETDEWEB)

An intermetallic compound Sm[sub 2]Fe[sub 17]N[sub x] was synthesized by plasma nitriding of Sm[sub 2]Fe[sub 17] in a stream of N[sub 2]-H[sub 2] mixed gas. The reaction proceeded at a lower temperature (around 423 K) than that of the conventional thermal technique, but not at room temperature. This is discussed on the basis of the difference between the reaction mechanisms of plasma and thermal nitridings. (orig.)

International Nuclear Information System (INIS)

Transient enhanced diffusion in boron-implanted silicon is interpreted as being due to the fact that during rapid thermal annealing a relaxation process takes place, associated with quasi-chemical reactions including defects. A simple analytical model makes it possible to describe the annealing mechanism on a microscopic scale in terms of reaction-diffusion processes. The measured dependences of the boron diffusion coefficient of the enhanced diffusion on time, temperature and implantation energy are satisfactorily explained. (author).

International Nuclear Information System (INIS)

An attempt is made to generalize the spaces of numbers and functions in order to consider certain problems in quantum mechanics, especially in the cases, where wave functions appear which do not belong to the Hilbert space L"2. Often the Soboljev - Schwartz distributions are used but they are not always the appropriate tool because they cannot be multiplied. A modification of the definition of generalized functions PSI(x vector) is proposed by particular conditions. Such conditions imposed on the wave function of a free particle seems to be the most natural by means of physics. It appears, however, that for all spaces with a real norm these conditions are contradictory. This implies together with the extension of the space of functions, an extension of the space of numbers with so called asymptotic numbers A. The four algebraic operations - addition, subtraction, multiplication and division are defined in the set A. To avoid the contradictions ...

Energy Technology Data Exchange (ETDEWEB)

It was previously reported that the tritium tracer method is useful for the quantitative consideration of hydrogen behavior in coal during coal liquefaction reaction. Tetralin is excellent hydrogen donating solvent, and is considered as one of the model compounds of coal. In this study, effects of H2S and H2O on the hydrogen exchange reaction between tetralin and gaseous hydrogen labeled by tritium were investigated. It was suggested that the conversion of tetralin and the hydrogen exchange reaction between gaseous hydrogen and tetralin proceed through the radical reaction mechanism with a tetralyl radical as an intermediate product. When H2S existed in this reaction, the hydrogen exchange yield increased drastically without changing the conversion yield. This suggested that the hydrogen exchange reaction proceeds even in the ...

Science.gov (United States)

Photoelectron resonance capture ionization (PERCI) is a soft and sensitive ionization method, based on the attachment of low-energy (<1 eV) photoelectrons to organic analyte molecules. PERCI has been developed in our laboratory for the real-time analysis of organic particles by mass spectrometry, and is employed here to monitor the heterogeneous reaction of ozone with oleic acid. Simplified identification of the reaction products is possible as a result of the soft nature of PERCI, giving predominantly the [M--H](-) ions. The major particle-phase products are identified as: 1-nonanal, nonanoic acid, 9-oxononanoic acid, and azelaic acid, consistent with proposed mechanisms. New insight into this well-studied heterogeneous reaction is gained as additional minor particle-phase products, consistent with the Criegee mechanism, are readily detected. PMID:15468105

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

The wave equation for spin;1/2 tachyons is derived from the Dirac equation and the principle of relativity extended to superluminal Lorentz frames. From this wave equation and the Dirac equation infinite velocity spinor transformations are obtained. They yield bispinors of the plane-wave states of the tachyon, their interpretation and covariant orthogonality relations satisfied by them. The transformation properties of the bispinors under Lorentz transformation are discussed. The boundary conditions for the free propagator of wave functions of tachyons are obtained and the propagator is constructed. Then the covariant S-matrix for scattering from an electromagnetic field is derived. It is applied to the scattering of electron-tachyons from the Coulomb field.

International Nuclear Information System (INIS)

The equivalence of representations of symmetry groups operating upon wave-functions in configuration space is studied with regard to the (intuitive) notion of physical equivalence. A refinement of the usual projective equivalence relation is introduced, called gauge equivalence, for which the allowed unitary equivalence transformations are gauge transformations. For a Euclidean as well as for Newton-Hooke symmetry group the gauge equivalence classes of unitary multiplier representations are determined. These examples support the assertion that equivalence from a physical viewpoint corresponds better to this new gauge equivalence concept than to the usual notion of projective equivalence. (author).

Science.gov (United States)

A number of agricultural and engineering uses for fixated flue gas desulfurization (FGD) material exist; however, the potential for leaching of hazardous elements has limited widespread application and the processes controlling the leaching of this material are poorly understood. In this study, a flow-through rotating-disk system was applied to elucidate the relative importance of bulk diffusion, pore diffusion, and surface chemical reaction in controlling the leaching of fixated FGD material under pH conditions ranging from 2.2 to 6.8. Changing the hydrodynamics in the rotating disk system did not affect the leaching kinetics at both pH 2.2 and 6.8, indicating that bulk diffusion was not the kinetic-limiting step. Application of the shrinking core model (SCM) to the data suggested a surface reaction-controlled mechanism, rather than a pore diffusion mechanism. The leaching of fixated FGD material ...

British Library Electronic Table of Contents (United Kingdom)

Rapid nitridation was used to fabricate reaction-bonded and postsintered -Si6-ZAlZOZN8-Z (Z=1) ceramics with monoclinic ZrO2 added to the starting powder. Thermo-gravimetric analysis revealed that the addition of ZrO2 reduced the starting temperature of the main nitridation reaction. Using a reaction-bonding route with heating rates of 5, 10, and 20C/min, to fabricate -SiAlON ceramics without ZrO2 resulted in unreacted silicon that bled out of the specimens and the Z=1 composition samples did not maintain the original green compact morphology. On the other hand, no such bleeding of melted silicon was observed for samples with ZrO2 additions and the samples following nitridation maintained the original green morphology. The microstructure and mechanical properties of samples produced by rap...

British Library Electronic Table of Contents (United Kingdom)

The core-shell luminol-doped SiO2 nanoparticles were synthesized and immobilized on the surface of chitosan film coating graphite electrode by the self-assembled technique. Then, a novel electrogenerated chemiluminescence (ECL) sensor for pyrogallol was developed based on its ECL enhancing effect for the core-shell luminol-doped silica nanoparticles. The ECL analytical performances and the sensing mechanism of this ECL sensor for pyrogallol were investigated in detail. The corresponding results showed that: compared with the conventional ECL reaction procedures by luminol ECL reaction system, the electrochemical (EC) reaction of pyrogallol and its subsequent chemiluminescence (CL) reaction occurred in the different spatial region whilst offering a high efficiency to couple the EC with the ...

Energy Technology Data Exchange (ETDEWEB)

Results from the asymmetric reactions 80 and 100 MeV/uLa + C are presented and compared to earlier work with the same system at 18 and 50 MeV/u. Fragment-fragment correlations, cross sections, and distributions in velocity space indicate the continued dominance of a quasi-binary decay mechanism with increased emission of light charged particles. The distributions in velocity also indicate a progression toward a ''fireball'' type of reaction mechanism. However, the angular distributions of the emitted fragments are incompatible with statistical production mechanisms that have successfully explained the lower energy results, and indicate the dynamical nature of the emission process. Dalitz plots of triple complex fragment coincidences are presented in order to investigate the nature of the multibody decays. 18 refs., 9 figs.

CERN Document Server

A major goal in optomechanics is to observe and control quantum behavior in a system consisting of a mechanical resonator coupled to an optical cavity. Work towards this goal has focused on increasing the strength of the coupling between the mechanical and optical degrees of freedom; however, the form of this coupling is crucial in determining which phenomena can be observed in such a system. Here we demonstrate that avoided crossings in the spectrum of an optical cavity containing a flexible dielectric membrane allow us to realize several different forms of the optomechanical coupling. These include cavity detunings that are (to lowest order) linear, quadratic, or quartic in the membrane's displacement, and a cavity finesse that is linear in (or independent of) the membrane's displacement. All these couplings are realized in a single device with extremely low optical loss and can be tuned over a wide range in situ; in ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Alternative mechanisms of electron state excitation in diatomic molecules are examined with reference to CN and C2 molecules forming in chemical reactions behind strong shock wave fronts in a CO(CO2)-N2 gas mixture. The temperature range considered is 4000-8000 K. An effective excitation mechanism is proposed which involves rapid vibration-rotation excitation at all electron states and nonradiative transitions between perturbed electron states induced by collisions with the ambient gas particles.

CERN Document Server

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Degradation reactions of a nylon 6 battery separator material have been studied in 4-34% aqueous KOH electrolytes at 35/sup 0/-110/sup 0/C. In a Ni/Cd cell, this degradation involves a slow hydrolysis reaction followed by fast electrochemical oxidations of the hydrolysis reaction products. Arrhenius activation energy of the hydrolysis reaction in 34% KOH was 20.0 +- 0.3 kcal/mole. A plot of the hydrolysis rate at 100/sup 0/C vs. hydroxyl ion concentration gave a rate maximum at about 16% KOH, and the mechanism for this effect is discussed. Electrochemical oxidations of the hydrolysis product, 6-aminocaproate ion, appear to proceed rapidly in several sequential steps at a nickel oxide electrode. In a Ni/Cd cell, the combination of nylon separator hydrolysis followed by electrochemical oxidation of the products can seriously degrade the battery lifetime. The rate of the hydrolysis of ...

CERN Document Server

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

British Library Electronic Table of Contents (United Kingdom)

Selectivity control is a key issue in the zeolite facilitated conversion of methanol to hydrocarbons. This work addresses: (a) How the zeolite topology (MFI versus BEA) determines the type of intermediate participating in the catalytic cycle thereby controlling the ethene/propene product selectivity in the methanol to alkenes reaction, and (b) to what extent light alkene formation occurs via aromatic and alkene reaction intermediates for H-ZSM-5. Three catalyst samples have been studied in experiments relying on isotopic labeling. For H-beta, penta- and hexamethylbenzene are involved in an aromatics based hydrocarbon pool type mechanism leading predominantly to propene and the higher alkenes (a very low yield of ethene is observed), whereas for H-ZSM-5, the lower methylbenzenes are the aro...

Energy Technology Data Exchange (ETDEWEB)

Projected scenarios for the proposed Yucca Mountain repository include significant periods of time when high relative humidity atmospheres will be present, thus the reaction processes of interest will include those known to occur under these conditions. The ideal natural analog for the proposed Yucca Mountain repository would consist of natural borosilicate glasses exposed to expected repository conditions for thousands of years; however, the prospects for identifying such an analog are remote, but an important caveat for using natural analog studies is to relate the reaction processes in the analog to those in the system of interest, rather than a strict comparison of the glass compositions. In lieu of this, identifying natural glasses that have reacted via reaction processes expected in the repository is the most attractive option. The goal of this study is to quantify molecular water diffusion in the natural analogs ...

British Library Electronic Table of Contents (United Kingdom)

The condensation reaction of furfural (F) on acetone (Ac) gives a high added value product, the 4-(2-furyl)-3-buten-2-one (FAc), used as aroma in alcohol free drinks, ice, candies, gelatines and other products of current life. This synthesis valorises the residues of sugar cane treatment since furfural is obtained by hydrolysis of sugar cane bagasse followed by vapor training extraction. In the face of numerous and complex reactions involved in this synthesis, it is very complicated to define the kinetic laws from exact stoichiometry. A solution allowing to cope the problem consists in identifying an appropriate stoichiometric model. It does not attempt to represent exactly all the reaction mechanisms, but proposes a mathematical support to integrate available knowledge on the transformati...

International Nuclear Information System (INIS)

Nuclear battery produces electricity by converting radiation energy into electrical energy. Energy carried by particles emitted by a radioisotope nuclei is much higher than that released in chemical reaction. Reaction with nuclei can potentially produce electricity thousand to million times higher than that of chemical reaction. Unlike NPP that produces large scale alternating current using thermodynamic cycle such as Rankine or Brayton cycles, nuclear battery is designed like other battery or fuel cell, to produce direct current (DC). However, both battery utilize the energy or particles radiating from nuclei of a radioisotope. In this paper, several types of nuclear battery as an energy converter are discussed, including their working mechanisms and examples. Nuclear battery is potential to become a long-life power source for use in wide range of applications, including in medical areas and for ...

Energy Technology Data Exchange (ETDEWEB)

The proposed active sites on the catalyst surface in heterogeneous propylene ammoxidation have been successfully modelled by structurally characterized pinacolato W(VI) tert-butylimido complexes. These compounds exist as an equilibrating mixture of amine-bis(imido) and imido-bis(amido) complexes, the position of this equilibrium is dependent on the electronic nature of the glycolate ligand. Both of the C-N bond-forming reactions proposed in recent studies by Grasselli et al. (1) have been reproduced using discrete Group VI d{sup 0} organoimido complexes under mild conditions suitable for detailed mechanistic studies. These reactions are: (1) oxidative trapping of radicals at molybdenum imido sites, and (2) migration of the allyl group from oxygen to an imido nitrogen atom.

British Library Electronic Table of Contents (United Kingdom)

An examination of the kinetics of the alkylation of anisole with 1-hexene and 1-hexanol to produce alkylates over zeolite H-beta is presented. Anisole alkylation is found to occur by a set of parallel reactions when hexene is used as the alkylating agent. When hexyl alcohol is the alkylating agent, the reaction follows a multi-step parallel-series mechanism to form monoalkylates and dihexylether. With 1-hexene, a group of isomeric alkylates, viz., ortho-2-hexyl anisole (2-OHA), ortho-3-hexyl anisole (3-OHA), para-2-hexyl anisole (2-PHA), and para-3-hexyl anisole (3-PHA) was obtained. With hexanol, the olefin (hexene) and dihexyl ether were obtained additionally. The influence of process parameters like temperature, catalyst quantity, and alkylating agent on reaction behavior is reported.

DEFF Research Database (Denmark)

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

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)

Both microstructural graded and homogenous single-phase #alpha#-Sialon is obtained from Si_3N_4 powder for a broad range of compositions of practical interest. Elongated grains of #alpha#-Sialon could be developed in the monophase material by controlled mechanism of nucleation and growth. Tailoring of microstructure was realized through slow transformation reaction from Si_3N_4 to #alpha#-Sialon at lower temperature than sintering temperature when the composition is near the #alpha#-Sialon phase boundary. The mechanical properties are strongly correlated with the microstructure and are enhanced greatly in the optimized Sialon composition. (author)

CERN Document Server

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

International Nuclear Information System (INIS)

One of the most remarkable features of string theories is that they seem to provide a framework for a consistent theory of quantum gravity which is unified with all other forces. String theories fall into the two basic, a priori equally interesting, categories of open and closed string theories. For the past five years virtually all attention has been focused on purely closed string theories even though the reincarnation of string theory began with the discovery of anomaly cancellation and finiteness in the Green-Schwarz open superstring. It is the authors' purpose in this essay to rekindle interest in open string theories as potential theories of nature, including gravity. All string theories naively contain a massless dilaton which couples with the strength of gravity in direct violation of experiment. They present a simple mechanism for giving the dilaton a mass in unoriented open bosonic string theories.

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 instanton-related decay ...

International Nuclear Information System (INIS)

Efficient, low-temperature conversion of infrared light into visible light (red, orange, green) is reported at single heterojunctions and undoped quantum wells of GaAs and ordered Al_xGa_1_-_xInP_2; an increase in photon energy of 700 meV is obtained. The signal originates from the high-band-gap layers and disappears only if the excitation energy is tuned below the GaAs band gap. The intensity of the up-converted photoluminescence (PL) is found to decrease significantly slower with increasing temperature than that of the regular PL and it remains observable up to 200 K. Interface-induced cold Auger processes along with the presence of trapped states for both electrons and holes in these ordered alloys account for this nonlinear mechanism. A colinear double-beam experiment confirms this. copyright 1996 The American Physical Society.

International Nuclear Information System (INIS)

A generalised RIC model for the rotational - vibrational spectra of deformed even-even nuclei of ellipsoidal shape in the rare-earth region has been proposed by incorporating many important features of various microscopic models proposed earlier. The two mass-point model and the governor model moments of intertia are obtained on the basis of the proposed model with appropriate limiting values of the radius of the RIC. Also, the model moment of intertia goes to zero for spherical nuclei, thus giving no rotational spectra for such nuclei. A quantum mechanical treatment of the model on the basis of the two mass-point concept, is expected to give results which are in better agreement with experiments. (author).

British Library Electronic Table of Contents (United Kingdom)

We investigate quantum mechanical electron transport along the long axis of the DNA molecule using an effective tight-binding model. The overall contour plot of transmission, the current-voltage characteristics, and the differential conductance are examined for the variation of backbone onsite energy, the energy-dependent hopping strength, and the contact coupling between the leads and the DNA molecule. It is shown that as backbone asymmetry increases, the merging and collapse of the two mini-bands take place and an extra resonance peak in the transmission appears. In addition, we present the modulation of voltage threshold in the current-voltage curves and a double-peak structure in the differential conductance due to the disappearance of the merged mini-band. Finally, in the Coulomb bloc...

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.

CERN Document Server

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

International Nuclear Information System (INIS)

Stimulated bremsstrahlung in an undulating electric field in the lasing beam direction (electric wiggler) was shown to be possible from the quantum- mechanical viewpoint. Herein, this possibility is scrutinized from the viewpoint of classical electrodynamics. It is found that if stimulated bremsstrahlung in a transverse undulating magnetic field (magnetic wiggler) occurs, stimulated bremsstrahlung in the electric wiggler must also occur. We further show that a free electron laser (FEL) using a magnetic wiggler to provide a catalyzer field for stimulated bremsstrahlung cannot serve as a practical FEL operating in the soft x-ray region from both theoretical and experimental viewpoints. On the other hand, the authors demonstrate that the FEL using a traveling wake field in a two-beam elliptical pill-box cavity is well suited as a source of coherent radiation in the soft x-ray region.

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

High pressure experiments in a jet-stirred reactor have been performed to study the NO{sub x} formation in lean premixed combustion of methane/air mixtures. The experimental results are compared with numerical predictions using four well known reaction mechanisms and a model which consists of a series of two perfectly stirred reactors and a plug flow reactor. (author) 2 figs., 7 refs.

Energy Technology Data Exchange (ETDEWEB)

The effect of treatment with hydrogen, hydrogen sulfide, and steam on the catalytic properties of NaY zeolites has been studied. A mechanism has been proposed for activation of the zeolites, which explains the appearance of Broensted acid centers on modified samples. The influence of modification temperature and the degree of decationization of the zeolites on the promoting capacity of the latter in the cumene cracking reaction has been studied.

International Nuclear Information System (INIS)

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

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.

Science.gov (United States)

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

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. ...

Science.gov (United States)

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

Science.gov (United States)

The oxidative dehydrogenation (OXDH) of n-butane, 1-butene, and trans-2-butene on different vanadia catalysts has been compared. MgO, alumina, and Mg-Al mixed oxides with Mg/(Al + Mg) ratios of 0.25 and 0.75 were used as supports. The catalytic data indicate that the higher the acid character of catalysts the lower is both the selectivity to C{sub 4}-olefins from n-butane and the selectivity to butadiene from both 1-butene or trans-2-butene. Thus, OXDH reactions are mainly observed from n-butane and butenes on basic catalysts. The different catalytic performance of both types of catalysts is a consequence of the isomerization of olefins on acid sites, which appears to be a competitive reaction with the selective way, i.e., the oxydehydrogenation process by a redox mechanism. Infrared spectroscopy data of 1-butene adsorbed on supported vanadium oxide catalysts suggest the presence of different adsorbed species. O-containing ...

British Library Electronic Table of Contents (United Kingdom)

Single crystal tungsten oxide (WO3) nanoparticles were prepared via a microwave-assisted method. Electrochemical activity for hydrogen evolution reaction (HER) on WO3 supported on carbon black (WO3/C) electrocatalyst was first studied in acid solution (0.5 M H2SO4) and alkaline solution (1.0 M KOH) at room temperature. The overall experimental results revealed that the electrocatalytic activity for HER on WO3/C is one order magnitude higher than those obtained with carbon black in 0.5 M H2SO4 and is six times than in the case of carbon black in 1.0 M KOH. These results demonstrated that WO3 could enhance the electrocatalytic activity for hydrogen evolution reaction in acid solution (0.5 M H2SO4) and alkaline solution (1.0 M KOH). On the other hand, the kinetic reaction mechanisms were disc...

Energy Technology Data Exchange (ETDEWEB)

The oxidation of CO over a Pt/{gamma}-Al{sub 2}O{sub 3} catalyst was studied by cyclic injection of CO and O{sub 2} pulses under CO and O{sub 2} pressures of 2 and 1 kPa, respectively, at temperatures of 330-650 K. A boundary reaction model yielded kinetic parameters in agreement with the results of published low-pressure studies. For CO{sub 2} formation from O{sub 2}(g) + (CO){sub ad}, CO desorption was the most important step and showed multipeak characteristics and a low activation energy (10 kJ/mol) for the boundary reaction was found. CO{sub 2} formation from O{sub 2}(g) + (CO) as well as from CO(g) + (O){sub ad} resulted from boundary reaction at oxygen island. A reaction mechanism was proposed to account for kinetics observed and interpret the varying observations noted in low-pressure studies in terms of diffusion-disguised kinetics.

International Nuclear Information System (INIS)

The cross sections for /sup 250/Fm, /sup 244-246/Cf, /sup 242-244/Cm, and /sup 242/Am/sup g/ produced by the /sup 12/C+ /sup 242/Pu and the /sup 16/O+ /sup 238/U reactions leading to the same compound nucleus of /sup 254/Fm have been measured by using radiochemical methods. The excitation functions show that the difference between the /sup 12/C+ /sup 242/Pu and the /sup 16/O+ /sup 238/U reactions can be attributed mainly to the Coulomb barriers. Our results were compared with others reported previously for /sup 22/Ne+ /sup 232/Th, /sup 12/C+ /sup 238/U, /sup 12/C+ /sup 240,241/Pu, /sup 13/C+ /sup 241/Pu, /sup 16/O+ /sup 233/U, and /sup 16/O+ /sup 242/Pu reaction systems, and support a mechanism involving transfer of #alpha#-particle clusters (C,Be,He) from projectile to target for the production of Cf and Cm isotopes.

Energy Technology Data Exchange (ETDEWEB)

The microstructure of Al/{alpha}-Al{sub 2}0{sub 3} composites made by infiltrating Al into dense mullite preforms has been characterized using transmission electron microscopy. Observations revealed that the formation of the Al/Al{sub 2}0{sub 3} composites involves three stages. Initially, Al infiltrates into a dense mullite preform through grain boundary diffusion, and reacts with mullite at grain boundaries to form a partial reaction zone. Then, a complete reaction takes place in the reaction region between the partial reaction zone and the full reaction zone to convert the dense mullite preform to a composite of {alpha}-Al{sub 2}0{sub 3} (matrix) and an Al-Si phase (thin channels). Finally, the reduced Si from the reaction diffuses out of the Al/Al{sub 2}0{sub 3} composite through the metal channels, whereas Al from the molten Al pool is continuously drawn to ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

A method to control charge transfer reaction in DNA using hybrid nanometer-sized TiO{sub 2} nanoparticles was developed. In this system extended charge separation reflects the sequence of DNA and was measured using metallic silver deposition or by photocurrent response. Light-induced extended charge separation in these systems was found to be dependent on the DNA-bridge length and sequence. The yield of photocatalytic deposition of silver was studied in systems having GG accepting sites imbedded in AT runs at varying distances from the TiO{sub 2} nanoparticle surface. Weak distance dependence of charge separation indicative of a hole hopping through mediating adenine (A) sites was found. The quantum yield of silver deposition in the system having a GG accepting site placed 8.5 {angstrom} from the nanoparticle surface was found to be {Phi} = 0.70 (70%) and {Phi} = 0.56 (56%) for (A){sub n} and (AT){sub n/2} bridge, respectively. Hole injection ...

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)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

New studies are always needed to better determine the physico-chemical processes involved in the combustion of natural gas. The understanding of the reaction mechanisms that lead to the formation of nitrogen oxides or volatile organic compounds requires to identify the inner mechanisms which take place during combustion and in particular the mechanisms of formation of intermediate products. The aim of this study is to analyze the thermal degradation of methane and ethane in low pressure pre-mixed stabilized laminar flames condition, because both of these compounds represent the major part of natural gas composition. The main chemical reaction ways identified in the studied flames and responsible for combustion have been identified after a comparison between experimental results and the computerized simulation performed using an a-priori postulated chemical ...

British Library Electronic Table of Contents (United Kingdom)

Plants use multiple defence mechanisms comprising both constitutive and inducible barriers to prevent entering of phytopathogenic micro-organisms. In many plant species one of the most efficient responses to combat attacking microbes is the rapid synthesis of antimicrobial low molecular weight phytoalexins, for example, resveratrol, 3,5,4prime-trihydroxystilbene (1). Resveratrol and its natural derivatives, however, display only moderate antimicrobial effects. Nevertheless, resveratrol may be a useful lead structure for the chemical synthesis of antimicrobials. In this study, several series of stilbenes have been synthesized, starting from the aldehydes using Wittig reactions to access the corresponding styrenes that were subjected to Mizoroki-Heck reactions to yield the stilbenes in good ...

Energy Technology Data Exchange (ETDEWEB)

Polyester WPC (wood-polymer composite) systems are one of the promising materials for multiple uses increasing the mechanical properties, provided that their dimensional stability can be improved. Possibility was pursued for the improvement in the dimensional stability of the polyester WPC systems prepared by electron beam irradiation. The impregnation of the mixture of polyester and monomer into both oven-dried beech veneers and preswollen wood was followed by mutual irradiation process. Polymerization was carried out at total dosage of 6 Mrad to the respective surfaces of samples by an electron beam accelerator, and the reaction was completed by heating at 80 deg C for 24 hr. The dimensions of the samples were measured primarily in the tangential direction, and their dynamic modulus and loss modulus were measured by a Rheovibron DDV-2 and the vibrating reed method. The results and the discussion are given for the reaction ...

Energy Technology Data Exchange (ETDEWEB)

Aluminium AA5182 coupons covered by a polyaniline film in the emeraldine base (EB) form showed increasing corrosion potential and decreasing corrosion current as a function of the thickness of the polymer layer. The cathodic reaction was proved not limited by diffusion of species inside the electrolyte solution and oxygen had no effect on the electrochemical behaviour of the coated samples. An EB coating on indium tin oxide conducting layer appeared slightly electroactive in neutral media. The IR spectra of aluminium coated samples, before and after heating in argon atmosphere, confirmed a redox reaction between the polymer film and the metal. This galvanic coupling can explain the good protective behaviour of emeraldine base against corrosion of aluminium.

International Nuclear Information System (INIS)

Turbulent premixed methane-air combustion in a cylindrical chamber is numerically simulated considering radiation effect. Reaction rates are considered as minimum rates between Arrhenius rates and eddy break up rates. A five step reduced mechanism is used. Turbulent modeling is done via standard k-? model imposed by empirical inlet boundary conditions. Source terms of energy equation consist of reaction rates and radiation effects. The discrete ordinate method (DOM) is employed to solve the radiative transfer equation (RTE) and the weighted sum of gray gas model (WSGGM) is imposed to consider radiation effect of non-gray gases. The results indicate that in the case of turbulent combusting flows, the effect of radiation of gases can affect the temperature and species concentrations. The numerical results obtained considering radiation effect are closer to the experimental data than that of the case without radiation effect.

Energy Technology Data Exchange (ETDEWEB)

Poly(ethylene terephthalate) (PET) powder from waste bottles was degraded at atmospheric pressure in 7--13 M nitric acid at 70--100 C for 72 h, to clarify the mechanism of a feed stock recycling process. Terephthalic acid (TPA) and ethylene glycol (EG) were produced by the acid-catalyzed heterogeneous hydrolysis of PET in nitric acid, and the resulting EG was simultaneously oxidized to oxalic acid. The kinetics of the hydrolysis of PET in nitric acid could be explained by a modified shrinking core model of chemical reaction control, in which the effective surface area is proportional to the degree of unreacted PET, affected by the deposition of the product TPA. The apparent rate constant was inversely proportional to particle size and to the concentration of the nitric acid. The activation energy of the reaction was 101.3 kJ/mol.

Energy Technology Data Exchange (ETDEWEB)

Red mud is a by-product of bauxite processing through Bayer process. The amount of red mud generated depends largely on the type of ore used and the processing. Use of red mud as a catalyst can be a good alternative to the existing commercial catalysts. Its properties such as iron content in form of ferric oxide (Fe{sub 2}O{sub 3}), high surface area, sintering resistance, resistance to poisoning and low cost make it an attractive potential catalyst for many reactions. Besides red mud, ferric ion sludge from wastewater treatment plant has also been studied for its catalytic properties, mainly due to its ferric oxide constituent. This paper reviews the studies on red mud as a catalyst. The catalyst characteristics, reaction mechanisms involved and performance are examined and compared with iron oxide catalyst and commercial catalysts. (author)

Energy Technology Data Exchange (ETDEWEB)

Pulse reactor experiments were conducted on the reactions of unlabeled or deuterium- or oxygen-18-labeled allyl alcohols over molybdenum trioxide and various bismuth molybdates in the absence or presence of oxygen and ammonia. The allyl alcohol apparently adsorbed on oxidation sites to form acrolein via allyl molybdates, and on Broensted acid sites to form diallyl ether via an allyl carbonium ion. The bismuth enhanced ..cap alpha..-hydrogen abstraction, which was the rate-determining step in the oxidation. The product distributions provided evidence that the selective oxidation of propylene to acrolein proceeds via a m-allyl molybdate which collapses to an O o-allyl molybdate prior to the second hydrogen abstraction, and that the analogous N o-complex in ammoxidation undergoes two hydrogen abstractions to form acrylonitrile. Detailed reaction schemes are developed.

Energy Technology Data Exchange (ETDEWEB)

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

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

Artificial bone cements (BCs) based on poly(methyl methacrylate) (PMMA) powders and methyl methacrylate (MMA) liquid monomer also present in their formulation small amounts of other substances, including a chemical initiator compound and radiopaque agents. Because inadequate mixing of the recipe components during the manufacture of the bone cement may compromise the mechanical properties of the final pieces, new techniques to incorporate the fillers into the BC and their effect upon the mechanical properties of BC pieces were investigated in the present study. PMMA powder composites were produced in situ in the reaction vessel by addition of X-ray contrasts to the reacting MMA mixture. It is shown that this can lead to much better mechanical properties of test pieces, when compared to standard bone cement formulations, because enhanced dispersion of the radiopaque agents can be achieved. Moreover, it is ...

Science.gov (United States)

Examinations of polished and dry cut sections of feed and tuyere coke revealed some possible mechanisms for the physical influence of mineral compounds on the reactivity and strength of coke. It was observed that rounded particles of mineral phases that are exposed to the pore walls and surface of coke at high temperature create an inorganic cover, thus reducing the surface available for gas-solid reactions. The particles of mineral matter that have a low melting point and viscosity can affect the coke at earlier stages in the blast furnace process, acting in the upper parts of the blast furnace (BF). The temperature-driven redistribution of mineral phases within the coke matrix probably leads to the creation of weak spots and in general to anisotropy in its properties, thus reducing its strength. 9 refs., 2 figs., 1 tab.

British Library Electronic Table of Contents (United Kingdom)

Lignocellulosic fibers from date palm trees were employed to reinforce an epoxy matrix. Two fiber sizes were used, with the length and diameter in the range of 20-30 and 1.5-3 mm, respectively, for the so-called long fibers, and in the range of 5-15 and 0.25-0.75 mm, respectively, for the so-called short fibers. The morphologies of the resulting composites, as well as their thermal, mechanical, and water sorption properties were evaluated. Strong interactions between both components and etherification reactions may occur between the hydroxyl groups of the fibers and the epoxy groups of the epoxy-amine reactive mixture. These effects are emphasized when decreasing the size of the fibers.

Energy Technology Data Exchange (ETDEWEB)

The reaction mechanism underlying the 44 MeV/u {sup 40}Ar projectile break-up process has been studied on different targets, by measuring the coincidences between light particles or intermediate mass fragments detected in a large angular range, and projectile fragments or light charged particles. While the experimental data relative to projectile-like fragments (PLF) with charge close to the one of the projectile can be interpreted in the framework of a three source analysis, the anomalous light fragment production with Z {<=} 10 rather suggests `fission` as one of the possible decay mode of the highly excited projectile or PLF. It is also observed that a great amount of the forward detected light charged particles are correlated, and due to the break-up or decay of light excited ions. (author). 9 refs.

Energy Technology Data Exchange (ETDEWEB)

Industrial utilization of reaction mechanisms of microorganisms under anaerobic condition permits structuring energy saving type production processes. The present survey has investigated features of new microorganisms under anaerobic condition and the status of researches thereon inside and outside the country, and discussed their future applications. Chapter 1 compares anaerobic microorganisms and functions of microorganism under anaerobic condition with those aerobic to describe their general features, and describes the purpose of this survey and the summary of the investigations. Chapter 2 surveys the current status of technologies to utilize microorganisms under anaerobic condition. Chapter 3 outlines metabolic characteristics of the anaerobic microorganisms, and extracts functions effective for material production by different anaerobic microorganisms to describe their applicability. Chapter 4 evaluates the system classification for the ...

Energy Technology Data Exchange (ETDEWEB)

Excitation functions ({alpha},3n) and ({alpha},4n) for {sup 209}Bi have been measured up to 60 MeV {alpha}-particle energy. The excitation functions are measured at 15{alpha}-particle energies by a stack foil technique in two steps. Excitation functions for the above two reactions have been reported for the first time in the energy range from 40 to 60 MeV. The measured experimental values are compared with the geometry-dependent hybrid (GDH) model in which the emission of particles prior to the equilibrium decay is taken into account whenever the interaction of projectile with the target nucleus is considered. It is found that the compound nucleus decay mechanism alone is unable to explain the experimental trend of our data. The initial exciton number 4 with different configurations has been tested and it is concluded that the configuration (2n + 2p + 0h) gives the best fit to the experimental data. (author).

Energy Technology Data Exchange (ETDEWEB)

In order to enhance the performance of CMOS transistors, embedded epitaxial layers of Si:C can be used. In the present work, Si:C layers with Carbon contents up to 1.9 at-% and in-situ Phosphorus doping up to 4 x 10{sup 20}At/cm{sup 3} have been investigated. Due to the low solubility of Carbon in Silicon (0.0004 at.-% at the melting point), all layers considered in this work are metastable and tend to relax. Since it is crucial to the application to retain the strain of those layers, the responsible mechanisms must be understood. The relaxation during thermal treatment was studied by high resolution X-ray diffraction and was found to behave differently, depending on Carbon content and Phosphorus doping concentration. In this work, we propose a relaxation mechanism based on a kick-out reaction of substitutional Carbon which is accelerated by Phosphorus content through transient enhanced diffusion. We simulate the time ...

Energy Technology Data Exchange (ETDEWEB)

The paper discusses two petrochemical selective oxidation reactions namely the practised formation of styrene (STY) and the desired oxidative functionalisation of propane. The present knowledge about the mode of operation of oxide catalysts is critically considered. The dehydrogenation of ethylbenzene (EB) should be described by an oxidehydration with water acting as oxidant. The potential role of the coke formed during catalytic reaction as co-catalyst will be discussed. Selective oxidation is connected with the participation of lattice oxygen mechanism which transforms unselective gas phase oxygen into selective oxygen. The atomistic description of this process is still quite unclear as well as the electron structural properties of the activated oxygen atom. The Role of solid state acidity as compared to the role of lattice oxygen is much less well investigated modern multiphase-multielement oxide (MMO) catalysts. The ...

International Nuclear Information System (INIS)

The pozzolanic behaviour of compound-activated red mud-coal gangue has been investigated through TG, DTA, XRD, FTIR and 27Al MAS NMR. From viewpoint of reaction kinetics, it is found that the pozzolanic reaction mechanism of the compound-activated red mud-coal gangue - lime system is clearly consistent with diffusion control up to 14 days, and the reaction rate constant calculated from Jander equation decreases with the increase of CaO addition in the system. The hydration products formed in the red mud-coal gangue - lime systems at ambient temperature are essentially aluminous C-S-H and Ca3Al2O6.xH2O. From TG analysis results, it is thought that the high amount of Ca(OH)2 in the pastes of studied system is not conducive to the continual increase of non-evaporable water content of the hydration products. Of particular interest, 27Al MAS NMR proved to be an effective technique to obtain valuable ...

Energy Technology Data Exchange (ETDEWEB)

Under typical conditions found in Pressurized Fluidized Bed Combustion (PFBC), the calcination reaction of limestones is thermodynamically inhibited, and the sorbent reacts with SO{sub 2} by a direct mechanism. Direct sulfation reactivity of different Spanish sorbents was studied by high-pressure thermogravimetric analysis. It was found that the physical structure of the surface of the particles influence the sulfation behaviour of the sorbents. Total pore volume and pore surface area correlated well with the reactivity of the sorbents. Temperatures between 800 and 925{degree}C, and pressure between 12 and 25 bar, promoted an increase in reactivity, while the gas composition had no effect when changed from 15% CO{sub 2}, 3% O{sub 2}, 0.5% SO{sub 2}, balance N{sub 2} to 12% CO{sub 2}, 7% O{sub 2}, 0.5% SO{sub 2}, balance N{sub 2}. It was found that the unreacted shrinking core model could not satisfactorily describe the sulfation ...

Energy Technology Data Exchange (ETDEWEB)

Since natural pyrite is easy to obtain and cheap as coal liquefaction catalyst, it is to be used for the 150 t/d scale NEDOL process bituminous coal liquefaction pilot plant. NEDO and NCOL have investigated the improvement of catalytic activity of pulverized natural pyrite for enhancing performance and economy of the NEDOL process. In this study, coal liquefaction tests were conducted using natural pyrite catalyst pulverized by dry-type bowl mill under nitrogen atmosphere. Mechanism of catalytic reaction of the natural pyrite was discussed from relations between properties of the catalyst and liquefaction product. The natural pyrite provided an activity to transfer gaseous hydrogen into the liquefaction product. It was considered that pulverized pyrite promotes the hydrogenation reaction of asphaltene because pulverization increases its contact rate with reactant and the amount of active points on its surface. It was ...

International Nuclear Information System (INIS)

One of the greatest opportunities for using of biomass as a precursor in the production of polymeric materials is the lignocellulose composites that can combine high performance with low costs. This work is a initial study on the production of a lignocellulose reinforced polyethylene composite. A compatibilization made by a induced gamma radiation grafting reaction was used to increase the adhesion between the matrix and the reinforced or filled fibers. The lignocellulose materials were exposed to gamma radiation in order to promote a molecular degradation and increase its reactivity. The polymer, the lignocellulose material and the compatibilization were processed by extrusion and the composite produced by this process were characterized by mechanical tests. (author)

Energy Technology Data Exchange (ETDEWEB)

Thin films of La{sub 0.6}Ca{sub 0.4}CoO{sub 3} perovskite were deposited on nickel plates by thermal decomposition of the metal nitrates. The electrochemical activity of the films for oxygen evolution in KOH solutions (0.1-1 M) was investigated. The reaction order with respect to OH{sup -} ion was found to be around 0.7. The results correlate fairly well with a mechanism in which breaking of the intermediate metal-peroxide bond at the Co ion is the rate-determining step. (author) 4 figs., 4 refs.

Science.gov (United States)

Using low-temperature adsorbed dihydrogen and carbon monoxide as molecular probes, the dehydroxylation of the hydrogen forms of the zeolites Y, and ZSM-5 has been studied. The high stability of the high-silica zeolites to dealumination and their difference from faujasites has been established as being due not only to the strength of their Broensted acid sites but also to the nature of their Lewis acid sites. The chemical properties of the Lewis acid sites and their possible role in catalytic reactions are discussed.

Energy Technology Data Exchange (ETDEWEB)

In the context of the shock-initiation problem, we study analytically the first effects of chemistry, treating a small chemical heat release as a perturbation on an inert flow. Specifically, we study the initial transient in plane-shock initiation in a dilute explosive, where the chemical energy is small relative to the mechanical-thermal energy. The vehicle for the study is the mathematical analog for reactive flow. The solution resembles a double refraction: to first order, the pressure or density is a superposition of two forward-going waves, both originating at the rear boundary, and carrying the same function, but running at different velocities. Surprisingly, this first-order solution is independent of the sensitivity of the reaction rate to the state, which appears only at second order.

International Nuclear Information System (INIS)

The effect of a mineralizer, magnesium silicate, on the nitridation of compacts consisting of silicon, clay, silica and silicon carbide was examined in terms of their reaction depth, density, porosity, phase composition and microstructure. It was found that addition of mineralizer slowed down the nitridation significantly. The kinetic process of isothermal nitridation in the presence of magnesium silicate obeys a parabolic rate law. Otherwise it obeys a linear rate law. The results suggest that nitrogen transportation is the limiting step during nitridation when mineralizer is added. The mechanism of nitridation is discussed in terms of phase composition and microstructure. Copyright (2000) The Australian Ceramic Society

Energy Technology Data Exchange (ETDEWEB)

In 1980 Sasol completed its very large coal conversion complex, Sasol Two and Three in South Africa. This complex, the largest coal-to-liquids facility in the world, utilizes Sasol's proprietary Fischer-Tropsch technology, the Synthol Process. The two key elements of the Synthol Process are its catalyst and its unique fluidized bed reactor, the Synthol Circulating Fluidized Bed Reactor. Details on the catalytic aspects and reaction mechanism have been given elsewhere. In this paper, the history of the development of the reactor is discussed.

Energy Technology Data Exchange (ETDEWEB)

The method of aluminium metal activation by liquid eutectics Ga-In (70:30) and Ga-In-Sn-Zn (60:25:10:5) is developed. Subsequent dispersion of the obtained specimens up to a particle size of >0.5mm leads to the drastic interaction of aluminium powder and water with evolving hydrogen. In the present work the oxidation rate of activated aluminium and water is investigated depending on eutectic composition, reaction temperature, and powder particle size. The mechanism of the main eutectic's components influence on the reacting ability of aluminium is discussed. (author)

Energy Technology Data Exchange (ETDEWEB)

The title of the workshop, ''The QCD Phase Transitions'', in fact happened to be too narrow for its real contents. It would be more accurate to say that it was devoted to different phases of QCD and QCD-related gauge theories, with strong emphasis on discussion of the underlying non-perturbative mechanisms which manifest themselves as all those phases. Before we go to specifics, let us emphasize one important aspect of the present status of non-perturbative Quantum Field Theory in general. It remains true that its studies do not get attention proportional to the intellectual challenge they deserve, and that the theorists working on it remain very fragmented. The efforts to create Theory of Everything including Quantum Gravity have attracted the lion share of attention and young talent. Nevertheless, in the last few years there was also a tremendous progress and even some shift of ...

Energy Technology Data Exchange (ETDEWEB)

Decay mechanism of H{sub 2}{sup -} anions produced by {gamma}-ray or X-ray radiolysis of solid para-H{sub 2} (p-H{sub 2}) has been studied using high-resolution ESR spectroscopy in the temperature range between 2.7-6.6 K. The results can be summarized as follows; First, the decay rate constant of the H{sub 2}{sup -} anion is not proportional to initial yields of reactive species such as H radical and cation but proportional to concentrations of HD and D{sub 2} impurities in p-H{sub 2}. Second, ESR spectra assigned as electron bubbles were observed in solid p-H{sub 2} containing large amount of HD or D{sub 2} (11 mol %), while they were not observed in pure solid p-H{sub 2}. Third, the decay rate constant of the H{sub 2}{sup -} anion increases with the decrease in temperature between 2.7-5 K, while it decreases with the decrease between 5-6.6 K. Fourth, the decay of the H{sub 2}{sup -} anion is suppressed by addition of ortho-H{sub 2} (o-H{sub 2}) impurity. The ...

International Nuclear Information System (INIS)

... charge-exchange reactions dwba finite-range interactions helium 3 reactions

International Nuclear Information System (INIS)

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

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 ...

Energy Technology Data Exchange (ETDEWEB)

A fully quantized many-particle theory of the standard free-electron laser in the small-signal, cold-beam regime is presented. The approach is based on an evaluation of the time-evolution operator in the interaction picture to first order in the quantum-mechanical recoil. For algebraic convenience we use the moving (Bambini-Renieri) frame, in which resonance occurs for zero electron momentum. Though we neglect space-charge effects, genuine many-particle contributions still show up, because the radiation emitted by one electron can be amplified by another electron. Our main results are gross features of the amplification, such as gain and spread, are virtually without many-particle effects. These effects are mainly important in the case of spontaneous emission. For a sufficiently high current, the buildup of the laser field from vacuum is enhanced by amplified spontaneous emission. Incoherence of the spontaneous radiation from several electrons induces deviations ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

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

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

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

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This document is the final report for Cooperative Agreement DE-FC26-04NT42314, 'Kinetics Study of Mercury Reactions in FGD Liquors'. The project was co-funded by the U.S. DOE National Energy Technology Laboratory and EPRI. The objective of the project has been to determine the mechanisms and kinetics of the aqueous reactions of mercury absorbed by wet flue gas desulfurization (FGD) systems, and develop a kinetics model to predict mercury reactions in wet FGD systems. The model may be used to determine optimum wet FGD design and operating conditions to maximize mercury capture in wet FGD systems. Initially, a series of bench-top, liquid-phase reactor tests were conducted and mercury species concentrations were measured by UV/visible light spectroscopy to determine reactant and byproduct concentrations over time. Other measurement methods, such as atomic absorption, were used to measure ...

International Nuclear Information System (INIS)

Single phase amorphous Al_xHf_1_0_0_-_x alloys with a wide amorphization range (33#<=#x#<=#75) were synthesized by the solid-state interdiffusion of pure polycrystalline Al and Hf powders at room temperature using a rod-milling technique. The mechanisms of metallic glass formation and competing crystallization processes in the mechanically deformed composite powders were investigated by means of X-ray diffraction, differential thermal analysis, scanning electron microscopy and transmission electron microscopy. The numerous intimate layered composite particles of the diffusion couples that formed during the first and intermediate stages of milling (0-173 ks) are intermixed to form amorphous phase(s) upon heating to about 980 K by so-called thermally assisted solid-state amorphization (TASSA). The amorphization heat formation for the binary Al_xHf_1_0_0_-_x system via TASSA, #DELTA#H"T"A"S"S"A_a, was measured directly as a function of the ...

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Lithium ion batteries use an oxide as a positive electrode and a carbon material as a negative electrode. The performances of carbon electrodes have rapidly evolved during the last years thanks to the substitution of soft carbons of Conoco or MCMB-2510 type by graphites (F-399, MCMB-2528) and then by hard carbons. These high capacity carbons (700 mAh/g) have higher service life and volume capacity than graphites but their irreversible losses are greater (>20%). In this work, materials with similar electrochemical performances are prepared by mechanical crushing. Mechanical crushing allows to obtain a wide range of carbon materials with various morphologies, specific surfaces and levels of disorder. The formation of the passivation film is directly linked with the surface of materials. A reaction scheme of the reversible and irreversible capacities has been defined and has permitted to obtain compounds with reversible ...

Energy Technology Data Exchange (ETDEWEB)

Quasi-carbon fibers (QCFs) were prepared from Polyacrylonitrile (PAN) precursor by pyrolysis in the temperature range from 400{degrees}C to 950{degrees}C. The QCF-reinforced composites were fabricated by impregnating the QCFs with the PAN resin. The microstructural changes of both QCFs and their composites were characterized by the X-ray diffraction method. The stacking size and the crystallinity of the QCFs increased with the increasing heat treatment temperature (HTT). The crystallinity of the PAN matrix in a composite was also affected by various QCFs. DSC data indicated that thermal reaction mechanism of the composite could be altered due to the interaction between the fiber and the matrix. DMTA studies showed that good adhesion existed at the interface of the QCF-reinforced composites containing lower HTT fibers. The modulus magnitudes of QCFs and their composites increased with the QCF pyrolysis temperature. Although the QCFs exhibited a ...

Science.gov (United States)

Target vessel materials used in spallation neutron source will be exposed to proton and neutron irradiation and mercury immersion environments. In order to evaluate the surface degradation of the vessel candidate materials due to such environment, the triple-ion beam irradiation taking the spallation reaction into account and mercury immersion tests were carried out. Mechanical properties of the gradient surface layer were evaluated by the inverse analysis with multi-layer model that considers distribution of surface characteristic was applied to the load and depth curves measured by using the instrumented indentation machine. Transmission electron microscopic observations were performed to evaluate the changes of microstructure in irradiated surface layer using focused ion-beam cut micro-specimen. The mechanical properties distributions in the surface layer were evaluated quantitatively and the changes in microstructures ...

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The atmospheric chemical behaviour of 1,1,1,2-tetrafluoroethane (CF{sub 3}CFH{sub 2}, HFC-134a) with respect to its rate and mechanism of degradation in the troposphere has been investigated. The rate coefficient for the reaction of (1a) CF{sub 3}CFH{sub 2}+OH{yields}CF{sub 3}CFH+H{sub 2}O has been determined in direct time-resolved experiments using laser-pulse initiation and laser long-path absorption. A value of k{sub 1a}=(4.6{+-}0.5).10{sup -15} cm{sup 3}/s at T=295 K has been found. The ratio of the rate coefficients for the reactions of the CF{sub 3}CFHO-radical with O{sub 2}, (4) CF{sub 3}CFHO+O{sub 2}{yields}CF{sub 3}CFO+HO{sub 2}, and C-C bond fission, (5) CF{sub 3}CFHO+M{yields}CFHO+CF{sub 3}+M, for T=295 K and p{sub total}=50 mbar (O{sub 2}) has been obtained to be k{sub 4}/(k{sub 5}[M])=1.5.10{sup -19} cm{sup 3}, with the individual values being k{sub 4}=2.7.10{sup -15} cm{sup 3}/s and k{sub 5}[M]=1.8.10{sup 4} ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

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

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.).