On some classical problems of descriptive set theory

International Nuclear Information System (INIS)

Kanovei, Vladimir G; Lyubetskii, Vasilii A

2003-01-01

The centenary of P.S. Novikov's birth provides an inspiring motivation to present, with full proofs and from a modern standpoint, the presumably definitive solutions of some classical problems in descriptive set theory which were formulated by Luzin [Lusin] and, to some extent, even earlier by Hadamard, Borel, and Lebesgue and relate to regularity properties of point sets. The solutions of these problems began in the pioneering works of Aleksandrov [Alexandroff], Suslin [Souslin], and Luzin (1916-17) and evolved in the fundamental studies of Goedel, Novikov, Cohen, and their successors. Main features of this branch of mathematics are that, on the one hand, it is an ordinary mathematical theory studying natural properties of point sets and functions and rather distant from general set theory or intrinsic problems of mathematical logic like consistency or Goedel's theorems, and on the other hand, it has become a subject of applications of the most subtle tools of modern mathematical logic

Semi-classical description of matter wave interferometers and hybrid quantum systems

Energy Technology Data Exchange (ETDEWEB)

Schneider, Mathias

2015-02-16

This work considers the semi-classical description of two applications involving cold atoms. This is, on one hand, the behavior of a BOSE-EINSTEIN condensate in hybrid systems, i.e. in contact with a microscopic object (carbon nanotubes, fullerenes, etc.). On the other, the evolution of phase space distributions in matter wave interferometers utilizing ray tracing methods was discussed. For describing condensates in hybrid systems, one can map the GROSS-PITAEVSKII equation, a differential equation in the complex-valued macroscopic wave function, onto a system of two differential equations in density and phase. Neglecting quantum dispersion, one obtains a semiclassical description which is easily modified to incorporate interactions between condensate and microscopical object. In our model, these interactions comprise attractive forces (CASIMIR-POLDER forces) and loss of condensed atoms due to inelastic collisions at the surface of the object. Our model exhibited the excitation of sound waves that are triggered by the object's rapid immersion, and spread across the condensate thereafter. Moreover, local particle loss leads to a shrinking of the bulk condensate. We showed that the total number of condensed particles is decreasing potentially in the beginning (large condensate, strong mean field interaction), while it decays exponentially in the long-time limit (small condensate, mean field inetraction negligible). For representing the physics of matter wave interferometers in phase space, we utilized the WIGNER function. In semi-classical approximation, which again consists in ignoring the quantum dispersion, this representation is subject to the same equation of motion as classical phase space distributions, i.e. the LIOUVILLE equation. This implies that time evolution of theWIGNER function follows a phase space flow that consists of classical trajectories (classical transport). This means, for calculating a time-evolved distribution, one has know the initial

Kinetic and spectral descriptions of autoionization phenomena associated with atomic processes in plasmas

Science.gov (United States)

Jacobs, Verne L.

2017-06-01

This investigation has been devoted to the theoretical description and computer modeling of atomic processes giving rise to radiative emission in energetic electron and ion beam interactions and in laboratory plasmas. We are also interested in the effects of directed electron and ion collisions and of anisotropic electric and magnetic fields. In the kinetic-theory description, we treat excitation, de-excitation, ionization, and recombination in electron and ion encounters with partially ionized atomic systems, including the indirect contributions from processes involving autoionizing resonances. These fundamental collisional and electromagnetic interactions also provide particle and photon transport mechanisms. From the spectral perspective, the analysis of atomic radiative emission can reveal detailed information on the physical properties in the plasma environment, such as non-equilibrium electron and charge-state distributions as well as electric and magnetic field distributions. In this investigation, a reduced-density-matrix formulation is developed for the microscopic description of atomic electromagnetic interactions in the presence of environmental (collisional and radiative) relaxation and decoherence processes. Our central objective is a fundamental microscopic description of atomic electromagnetic processes, in which both bound-state and autoionization-resonance phenomena can be treated in a unified and self-consistent manner. The time-domain (equation-of-motion) and frequency-domain (resolvent-operator) formulations of the reduced-density-matrix approach are developed in a unified and self-consistent manner. This is necessary for our ultimate goal of a systematic and self-consistent treatment of non-equilibrium (possibly coherent) atomic-state kinetics and high-resolution (possibly overlapping) spectral-line shapes. We thereby propose the introduction of a generalized collisional-radiative atomic-state kinetics model based on a reduced

Non-reversible evolution of quantum chaotic system. Kinetic description

International Nuclear Information System (INIS)

Chotorlishvili, L.; Skrinnikov, V.

2008-01-01

It is well known that the appearance of non-reversibility in classical chaotic systems is connected with a local instability of phase trajectories relatively to a small change of initial conditions and parameters of the system. Classical chaotic systems reveal an exponential sensitivity to these changes. This leads to an exponential growth of initial error with time, and as the result after the statistical averaging over this error, the dynamics of the system becomes non-reversible. In spite of this, the question about the origin of non-reversibility in quantum case remains actual. The point is that the classical notion of instability of phase trajectories loses its sense during quantum consideration. The current work is dedicated to the clarification of the origin of non-reversibility in quantum chaotic systems. For this purpose we study a non-stationary dynamics of the chaotic quantum system. By analogy with classical chaos, we consider an influence of a small unavoidable error of the parameter of the system on the non-reversibility of the dynamics. It is shown in the Letter that due to the peculiarity of chaotic quantum systems, the statistical averaging over the small unavoidable error leads to the non-reversible transition from the pure state into the mixed one. The second part of the Letter is dedicated to the kinematic description of the chaotic quantum-mechanical system. Using the formalism of superoperators, a muster kinematic equation for chaotic quantum system was obtained from Liouville equation under a strict mathematical consideration

The Relation between Classical and Quantum Electrodynamics

Directory of Open Access Journals (Sweden)

Mario Bacelar Valente

2011-01-01

Full Text Available Quantum electrodynamics presents intrinsic limitations in the description of physical processes that make it impossible to recover from it the type of description we have in classical electrodynamics. Hence one cannot consider classical electrodynamics as reducing to quantum electrodynamics and being recovered from it by some sort of limiting procedure. Quantum electrodynamics has to be seen not as an more fundamental theory, but as an upgrade of classical electrodynamics, which permits an extension of classical theory to the description of phenomena that, while being related to the conceptual framework of the classical theory, cannot be addressed from the classical theory.

ASPEN: A fully kinetic, reduced-description particle-in-cell model for simulating parametric instabilities

International Nuclear Information System (INIS)

Vu, H.X.; Bezzerides, B.; DuBois, D.F.

1999-01-01

A fully kinetic, reduced-description particle-in-cell (RPIC) model is presented in which deviations from quasineutrality, electron and ion kinetic effects, and nonlinear interactions between low-frequency and high-frequency parametric instabilities are modeled correctly. The model is based on a reduced description where the electromagnetic field is represented by three separate temporal envelopes in order to model parametric instabilities with low-frequency and high-frequency daughter waves. Because temporal envelope approximations are invoked, the simulation can be performed on the electron time scale instead of the time scale of the light waves. The electrons and ions are represented by discrete finite-size particles, permitting electron and ion kinetic effects to be modeled properly. The Poisson equation is utilized to ensure that space-charge effects are included. The RPIC model is fully three dimensional and has been implemented in two dimensions on the Accelerated Strategic Computing Initiative (ASCI) parallel computer at Los Alamos National Laboratory, and the resulting simulation code has been named ASPEN. The authors believe this code is the first particle-in-cell code capable of simulating the interaction between low-frequency and high-frequency parametric instabilities in multiple dimensions. Test simulations of stimulated Raman scattering, stimulated Brillouin scattering, and Langmuir decay instability are presented

Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.

Science.gov (United States)

Gao, Jiali; Major, Dan T; Fan, Yao; Lin, Yen-Lin; Ma, Shuhua; Wong, Kin-Yiu

2008-01-01

A method for incorporating quantum mechanics into enzyme kinetics modeling is presented. Three aspects are emphasized: 1) combined quantum mechanical and molecular mechanical methods are used to represent the potential energy surface for modeling bond forming and breaking processes, 2) instantaneous normal mode analyses are used to incorporate quantum vibrational free energies to the classical potential of mean force, and 3) multidimensional tunneling methods are used to estimate quantum effects on the reaction coordinate motion. Centroid path integral simulations are described to make quantum corrections to the classical potential of mean force. In this method, the nuclear quantum vibrational and tunneling contributions are not separable. An integrated centroid path integral-free energy perturbation and umbrella sampling (PI-FEP/UM) method along with a bisection sampling procedure was summarized, which provides an accurate, easily convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. In the ensemble-averaged variational transition state theory with multidimensional tunneling (EA-VTST/MT), these three aspects of quantum mechanical effects can be individually treated, providing useful insights into the mechanism of enzymatic reactions. These methods are illustrated by applications to a model process in the gas phase, the decarboxylation reaction of N-methyl picolinate in water, and the proton abstraction and reprotonation process catalyzed by alanine racemase. These examples show that the incorporation of quantum mechanical effects is essential for enzyme kinetics simulations.

Modeling the isochronal crystallization kinetics

International Nuclear Information System (INIS)

Sahay, S.S.; Krishnan, Karthik

2004-01-01

The classical Johnson-Mehl-Avrami-Kolmogorov (JMAK) model, originally formulated for the isothermal condition, is often used in conjunction with additivity principle for modeling the non-isothermal crystallization kinetics. This approach at times results in significant differences between the model prediction and experimental data. In this article, a modification to this approach has been imposed via an additional functional relationship between the activation energy and heating rate. The methodology has been validated with experimental isochronal crystallization kinetic data in Se 71 Te 20 Sb 9 glass and Ge 20 Te 80 systems. It has been shown that the functional relationship between heating rate and activation energy, ascribed to the reduction in apparent activation energy due to increasing non-isothermality, provides better phenomenological description and therefore improves the prediction capability of the JMAK model under isochronal condition

Kinetic description of a wiggler pumped ion-channel free electron laser

International Nuclear Information System (INIS)

Mehdian, H; Raghavi, A

2006-01-01

The wiggler pumped ion-channel free electron laser (WPIC-FEL) is treated and the classes of possible single-particle electron trajectories in this configuration are discussed in the paper. A new region of orbital stability is seen in the negative mass regime. A kinetic description of WPIC-FEL is given. Vlasov-Maxwell equations are solved to get the linear gain in a tenuous-beam limit, where the beam plasma frequency is much less than the radiation frequency and the self-field effects can be ignored

Constructing quantum dynamics from mixed quantum-classical descriptions

International Nuclear Information System (INIS)

Barsegov, V.; Rossky, P.J.

2004-01-01

The influence of quantum bath effects on the dynamics of a quantum two-level system linearly coupled to a harmonic bath is studied when the coupling is both diagonal and off-diagonal. It is shown that the pure dephasing kernel and the non-adiabatic quantum transition rate between Born-Oppenheimer states of the subsystem can be decomposed into a contribution from thermally excited bath modes plus a zero point energy contribution. This quantum rate can be modewise factorized exactly into a product of a mixed quantum subsystem-classical bath transition rate and a quantum correction factor. This factor determines dynamics of quantum bath correlations. Quantum bath corrections to both the transition rate and the pure dephasing kernel are shown to be readily evaluated via a mixed quantum-classical simulation. Hence, quantum dynamics can be recovered from a mixed quantum-classical counterpart by incorporating the missing quantum bath corrections. Within a mixed quantum-classical framework, a simple approach for evaluating quantum bath corrections in calculation of the non-adiabatic transition rate is presented

New mechanism for bubble nucleation: Classical transitions

International Nuclear Information System (INIS)

Easther, Richard; Giblin, John T. Jr; Hui Lam; Lim, Eugene A.

2009-01-01

Given a scalar field with metastable minima, bubbles nucleate quantum mechanically. When bubbles collide, energy stored in the bubble walls is converted into kinetic energy of the field. This kinetic energy can facilitate the classical nucleation of new bubbles in minima that lie below those of the 'parent' bubbles. This process is efficient and classical, and changes the dynamics and statistics of bubble formation in models with multiple vacua, relative to that derived from quantum tunneling.

Quasi-linear landau kinetic equations for magnetized plasmas: compact propagator formalism, rotation matrices and interaction

International Nuclear Information System (INIS)

Misguich, J.H.

2004-04-01

As a first step toward a nonlinear renormalized description of turbulence phenomena in magnetized plasmas, the lowest order quasi-linear description is presented here from a unified point of view for collisionless as well as for collisional plasmas in a constant magnetic field. The quasi-linear approximation is applied to a general kinetic equation obtained previously from the Klimontovich exact equation, by means of a generalised Dupree-Weinstock method. The so-obtained quasi-linear description of electromagnetic turbulence in a magnetoplasma is applied to three separate physical cases: -) weak electrostatic turbulence, -) purely magnetic field fluctuations (the classical quasi-linear results are obtained for cosmic ray diffusion in the 'slab model' of magnetostatic turbulence in the solar wind), and -) collisional kinetic equations of magnetized plasmas. This mathematical technique has allowed us to derive basic kinetic equations for turbulent plasmas and collisional plasmas, respectively in the quasi-linear and Landau approximation. In presence of a magnetic field we have shown that the systematic use of rotation matrices describing the helical particle motion allows for a much more compact derivation than usually performed. Moreover, from the formal analogy between turbulent and collisional plasmas, the results derived here in detail for the turbulent plasmas, can be immediately translated to obtain explicit results for the Landau kinetic equation

Quasi-linear landau kinetic equations for magnetized plasmas: compact propagator formalism, rotation matrices and interaction

Energy Technology Data Exchange (ETDEWEB)

Misguich, J.H

2004-04-01

As a first step toward a nonlinear renormalized description of turbulence phenomena in magnetized plasmas, the lowest order quasi-linear description is presented here from a unified point of view for collisionless as well as for collisional plasmas in a constant magnetic field. The quasi-linear approximation is applied to a general kinetic equation obtained previously from the Klimontovich exact equation, by means of a generalised Dupree-Weinstock method. The so-obtained quasi-linear description of electromagnetic turbulence in a magnetoplasma is applied to three separate physical cases: -) weak electrostatic turbulence, -) purely magnetic field fluctuations (the classical quasi-linear results are obtained for cosmic ray diffusion in the 'slab model' of magnetostatic turbulence in the solar wind), and -) collisional kinetic equations of magnetized plasmas. This mathematical technique has allowed us to derive basic kinetic equations for turbulent plasmas and collisional plasmas, respectively in the quasi-linear and Landau approximation. In presence of a magnetic field we have shown that the systematic use of rotation matrices describing the helical particle motion allows for a much more compact derivation than usually performed. Moreover, from the formal analogy between turbulent and collisional plasmas, the results derived here in detail for the turbulent plasmas, can be immediately translated to obtain explicit results for the Landau kinetic equation.

Thermodynamics and Kinetics of Prenucleation Clusters, Classical and Non-Classical Nucleation.

Science.gov (United States)

Zahn, Dirk

2015-07-20

Recent observations of prenucleation species and multi-stage crystal nucleation processes challenge the long-established view on the thermodynamics of crystal formation. Here, we review and generalize extensions to classical nucleation theory. Going beyond the conventional implementation as has been used for more than a century now, nucleation inhibitors, precursor clusters and non-classical nucleation processes are rationalized as well by analogous concepts based on competing interface and bulk energy terms. This is illustrated by recent examples of species formed prior to/instead of crystal nucleation and multi-step nucleation processes. Much of the discussed insights were obtained from molecular simulation using advanced sampling techniques, briefly summarized herein for both nucleation-controlled and diffusion-controlled aggregate formation. © 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution Non-Commercial NoDerivs License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non-commercial and no modifications or adaptations are made.

A new kinetic description for turbulent collisions including mode-coupling

International Nuclear Information System (INIS)

Misguich, J.H.; Tchen, C.M.

1982-07-01

The usual introduction of higher-order mode-coupling terms in the description of turbulent collisions beyond usual Renormalized Quasi-Linear approximation (RQL) is briefly analyzed. Here new results are derived in the framework of the general kinetic theory, and the equivalence is proved with the long time limit of simple results deduced from the Vlasov equation. The correction to the RQL turbulent collision term is analyzed and a new approximation is proposed. Turbulent collisions are also described by perturbation around the Lagrangian autocorrelation of fluctuating fields. For an homogeneous turbulence, however, the asymptotic integral of this Lagrangian autocorrelation vanishes identically, similarly to what occurs in Brownian motion. For inhomogeneous turbulence this method can nevertheless be used, and higher-order mode-coupling terms can be interpreted as a shielding of elementary Lagrangian turbulent collisions

Kinetic theory of nonideal gases and nonideal plasmas

CERN Document Server

Klimontovich, Yu L

2013-01-01

Kinetic Theory of Nonideal Gases and Nonideal Plasmas presents the fundamental aspects of the kinetic theory of gases and plasmas. The book consists of three parts, which attempts to present some of the ideas, methods and applications in the study of the kinetic processes in nonideal gases and plasmas. The first part focuses on the classical kinetic theory of nonideal gases. The second part discusses the classical kinetic theory of fully ionized plasmas. The last part is devoted to the quantum kinetic theory of nonideal gases and plasmas. A concluding chapter is included, which presents a shor

Quantum dynamics in open quantum-classical systems.

Science.gov (United States)

Kapral, Raymond

2015-02-25

Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence on the properties of the quantum system. In many instances the environment is well-approximated by classical mechanics, so that one is led to consider the dynamics of open quantum-classical systems. Since a full quantum dynamical description of large many-body systems is not currently feasible, mixed quantum-classical methods can provide accurate and computationally tractable ways to follow the dynamics of both the system and its environment. This review focuses on quantum-classical Liouville dynamics, one of several quantum-classical descriptions, and discusses the problems that arise when one attempts to combine quantum and classical mechanics, coherence and decoherence in quantum-classical systems, nonadiabatic dynamics, surface-hopping and mean-field theories and their relation to quantum-classical Liouville dynamics, as well as methods for simulating the dynamics.

Classical understanding of electron vortex beams in a uniform magnetic field

Energy Technology Data Exchange (ETDEWEB)

Han, Yeong Deok [Department of Computer Science and Engineering, Woosuk University, Wanju, Cheonbuk, 565-701 (Korea, Republic of); Choi, Taeseung, E-mail: tschoi@swu.ac.kr [Division of Applied Food System, College of Natural Science, Seoul Women' s University, Seoul 139-774 (Korea, Republic of); School of Computational Sciences, Korea Institute for Advanced Study, Seoul 130-012 (Korea, Republic of)

2017-04-25

Recently, interesting observations on electron vortex beams have been made. We propose a classical model that shows vortex-like motion due to suitably-synchronized motion of each electron's cyclotron motion in a uniform magnetic field. It is shown that some basic features of electron vortex beams in a uniform magnetic field, such as azimuthal currents, the relation between energy and kinetic angular momentum, and the parallel-axis theorem are understandable by using this classical model. We also show that the time-dependence of kinetic angular momentum of electron vortex beams could be understood as an effect of a specific nonuniform distribution of classical electrons. - Highlights: • A classical model for electron vortex beams is proposed. • The basic features of azimuthal currents could be understood by using this model. • The kinetic angular momentum of electron vortex beams is intuitively understandable.

Holographic description of 2D conformal block in semi-classical limit

Energy Technology Data Exchange (ETDEWEB)

Chen, Bin [Department of Physics and State Key Laboratory of Nuclear Physics and Technology,Peking University, 5 Yiheyuan Rd, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter,5 Yiheyuan Rd, Beijing 100871 (China); Center for High Energy Physics, Peking University, 5 Yiheyuan Rd, Beijing 100871 (China); Wu, Jie-qiang [Department of Physics and State Key Laboratory of Nuclear Physics and Technology,Peking University, 5 Yiheyuan Rd, Beijing 100871 (China); Zhang, Jia-ju [Theoretical Physics Division, Institute of High Energy Physics,Chinese Academy of Sciences, 19B Yuquan Rd, Beijing 100049 (China); Theoretical Physics Center for Science Facilities, Chinese Academy of Sciences,19B Yuquan Rd, Beijing 100049 (China)

2016-10-20

In this paper, we study the holographic descriptions of the conformal block of heavy operators in two-dimensional large c conformal field theory. We consider the case that the operators are pairwise inserted such that the distance between the operators in a pair is much smaller than the others. In this case, each pair of heavy operators creates a conical defect in the bulk. We propose that the conformal block is dual to the on-shell action of three dimensional geometry with conical defects in the semi-classical limit. We show that the variation of the on-shell action with respect to the conical angle is equal to the length of the corresponding conical defect. We derive this differential relation on the conformal block in the field theory by introducing two extra light operators as both the probe and the perturbation. Our study also suggests that the area law of the holographic Rényi entropy must holds for a large class of states generated by a finite number of heavy operators insertion.

On the problem of a consistent description of kinetic and hydrodynamic processes in dense gases and liquids

Directory of Open Access Journals (Sweden)

B.B. Markiv

2010-01-01

Full Text Available For a consistent description of kinetic and hydrodynamic processes in dense gases and liquids the generalized non-Markovian equations for the nonequilibrium one-particle distribution function and potential part of the averaged enthalpy density are obtained. The inner structure of the generalized transport kernels for these equations is established. It is shown that the collision integral of the kinetic equation has the Fokker-Planck form with the generalized friction coefficient in momentum space. It also contains contributions from the generalized diffusion coefficient and dissipative processes connected with the potential part of the enthalpy density.

A semi-classical model for the description of angular distribution of light particles emitted in nuclear reactions

International Nuclear Information System (INIS)

Zhang Jingshang

1990-04-01

A semi-classical model of multi-step direct and compound nuclear reactions has been proposed to describe the angular distributions of light particles emitted in reaction processes induced by nucleons with energies of several tens of MeV. The exact closed solution for the time-dependent master equation of the exciton model is applied. Based on the Fermi gas model, the scattering kernel for two-nucleon collisions includes the influence of the Fermi motion and the Pauli exclusion principle, which give a significant improvement in the description of the rise of the backward distributions. The angle-energy correlation for the first few steps of the collision process (multi-step direct process) yields further improvements in the description of the angular distribution. The pick-up mechanism is employed to describe the composite particle emission. This reasonable physical picture reproduces the experimental data of the energy spectra of composite particles satisfactorily. The angular distribution of the emitted composite particles is determined by an angular factor in terms of the momentum conservation of the nucleons forming the composite cluster. The generalized master equation is employed for the multi-step compound process. Thus a classical approach has been established to calculate the double differential cross sections for all kinds of particles emitted in multi-step nuclear reaction processes. (author). 19 refs, 6 figs, 1 tab

Relaxation and kinetics in scalar field theories

International Nuclear Information System (INIS)

Boyanovsky, D.; Lawrie, I.D.; Lee, D.

1996-01-01

A new approach to the dynamics of relaxation and kinetics of thermalization in a scalar field theory is presented that incorporates the relevant time scales through the resummation of hard thermal loops. An alternative derivation of the kinetic equations for the open-quote open-quote quasiparticle close-quote close-quote distribution functions is obtained that allows a clear understanding of the different open-quote open-quote coarse-graining close-quote close-quote approximations usually involved in a kinetic description. This method leads to a systematic perturbative expansion to obtain the kinetic equations including hard thermal loop resummation and to an improvement including renormalization, off-shell effects, and contributions that change chemical equilibrium on short time scales. As a by-product of these methods we establish the equivalence between the relaxation time scale in the linearized equation of motion of the quasiparticles and the thermalization time scale of the quasiparticle distribution function in the open-quote open-quote relaxation time approximation close-quote close-quote including hard thermal loop effects. Hard thermal loop resummation dramatically modifies the scattering rate for long wavelength modes as compared to the usual (semi)classical estimate. Relaxation and kinetics are studied both in the unbroken and broken symmetry phases of the theory. The broken symmetry phase also provides the setting to obtain the contribution to the kinetic equations from processes that involve decay of a heavy scalar into light scalar particles in the medium. copyright 1996 The American Physical Society

Kinetic description of quasi-stationary axisymmetric collisionless accretion disk plasmas with arbitrary magnetic field configurations

International Nuclear Information System (INIS)

Cremaschini, Claudio; Miller, John C.; Tessarotto, Massimo

2011-01-01

A kinetic treatment is developed for collisionless magnetized plasmas occurring in high-temperature, low-density astrophysical accretion disks, such as are thought to be present in some radiatively inefficient accretion flows onto black holes. Quasi-stationary configurations are investigated, within the framework of a Vlasov-Maxwell description. The plasma is taken to be axisymmetric and subject to the action of slowly time-varying gravitational and electromagnetic fields. The magnetic field is assumed to be characterized by a family of locally nested but open magnetic surfaces. The slow collisionless dynamics of these plasmas is investigated, yielding a reduced gyrokinetic Vlasov equation for the kinetic distribution function. For doing this, an asymptotic quasi-stationary solution is first determined, represented by a generalized bi-Maxwellian distribution expressed in terms of the relevant adiabatic invariants. The existence of the solution is shown to depend on having suitable kinetic constraints and conditions leading to particle trapping phenomena. With this solution, one can treat temperature anisotropy, toroidal and poloidal flow velocities, and finite Larmor-radius effects. An asymptotic expansion for the distribution function permits analytic evaluation of all the relevant fluid fields. Basic theoretical features of the solution and their astrophysical implications are discussed. As an application, the possibility of describing the dynamics of slowly time-varying accretion flows and the self-generation of magnetic field by means of a ''kinetic dynamo effect'' are discussed. Both effects are shown to be related to intrinsically kinetic physical mechanisms.

Quasi-Classical Description of Heavy Ion Reactions

International Nuclear Information System (INIS)

Luk'yanov, V.K.

1994-01-01

A method for calculating the distorted waves for a realistic nuclear complex potential with the Coulomb forces included is developed using the quasi-classical and high energy approximations. The distorted waves are obtained in the analytical form and applications are made to elastic, inelastic scattering and to the one-nucleon transfer reactions. 9 refs., 2 figs

Quantum-classical hybrid dynamics – a summary

International Nuclear Information System (INIS)

Elze, Hans-Thomas

2013-01-01

A summary of a recently proposed description of quantum-classical hybrids is presented, which concerns quantum and classical degrees of freedom of a composite object that interact directly with each other. This is based on notions of classical Hamiltonian mechanics suitably extended to quantum mechanics.

Self-Consistent System of Equations for a Kinetic Description of the Low-Pressure Discharges Accounting for the Nonlocal and Collisionless Electron Dynamics

International Nuclear Information System (INIS)

Kaganovich, Igor D.; Polomarov, Oleg

2003-01-01

In low-pressure discharges, when the electron mean free path is larger or comparable with the discharge length, the electron dynamics is essentially non-local. Moreover, the electron energy distribution function (EEDF) deviates considerably from a Maxwellian. Therefore, an accurate kinetic description of the low-pressure discharges requires knowledge of the non-local conductivity operator and calculation of the non-Maxwellian EEDF. The previous treatments made use of simplifying assumptions: a uniform density profile and a Maxwellian EEDF. In the present study a self-consistent system of equations for the kinetic description of nonlocal, non-uniform, nearly collisionless plasmas of low-pressure discharges is derived. It consists of the nonlocal conductivity operator and the averaged kinetic equation for calculation of the non-Maxwellian EEDF. The importance of accounting for the non-uniform plasma density profile on both the current density profile and the EEDF is demonstrated

Modelling Of Flotation Processes By Classical Mathematical Methods - A Review

Science.gov (United States)

Jovanović, Ivana; Miljanović, Igor

2015-12-01

Flotation process modelling is not a simple task, mostly because of the process complexity, i.e. the presence of a large number of variables that (to a lesser or a greater extent) affect the final outcome of the mineral particles separation based on the differences in their surface properties. The attempts toward the development of the quantitative predictive model that would fully describe the operation of an industrial flotation plant started in the middle of past century and it lasts to this day. This paper gives a review of published research activities directed toward the development of flotation models based on the classical mathematical rules. The description and systematization of classical flotation models were performed according to the available references, with emphasize exclusively given to the flotation process modelling, regardless of the model application in a certain control system. In accordance with the contemporary considerations, models were classified as the empirical, probabilistic, kinetic and population balance types. Each model type is presented through the aspects of flotation modelling at the macro and micro process levels.

Limiting processes in non-equilibrium classical statistical mechanics

International Nuclear Information System (INIS)

Jancel, R.

1983-01-01

After a recall of the basic principles of the statistical mechanics, the results of ergodic theory, the transient at the thermodynamic limit and his link with the transport theory near the equilibrium are analyzed. The fundamental problems put by the description of non-equilibrium macroscopic systems are investigated and the kinetic methods are stated. The problems of the non-equilibrium statistical mechanics are analyzed: irreversibility and coarse-graining, macroscopic variables and kinetic description, autonomous reduced descriptions, limit processes, BBGKY hierarchy, limit theorems [fr

Elementary Processes and Kinetic Modeling for Hydrogen and Helium Plasmas

Directory of Open Access Journals (Sweden)

Roberto Celiberto

2017-05-01

Full Text Available We report cross-sections and rate coefficients for excited states colliding with electrons, heavy particles and walls useful for the description of H 2 /He plasma kinetics under different conditions. In particular, the role of the rotational states in resonant vibrational excitations of the H 2 molecule by electron impact and the calculation of the related cross-sections are illustrated. The theoretical determination of the cross-section for the rovibrational energy exchange and dissociation of H 2 molecule, induced by He atom impact, by using the quasi-classical trajectory method is discussed. Recombination probabilities of H atoms on tungsten and graphite, relevant for the determination of the nascent vibrational distribution, are also presented. An example of a state-to-state plasma kinetic model for the description of shock waves operating in H 2 and He-H 2 mixtures is presented, emphasizing also the role of electronically-excited states in affecting the electron energy distribution function of free electrons. Finally, the thermodynamic properties and the electrical conductivity of non-ideal, high-density hydrogen plasma are finally discussed, in particular focusing on the pressure ionization phenomenon in high-pressure high-temperature plasmas.

Importance of (n,xn) reactions in evaluating kinetic parameters of subcritical assemblies: from classic to modern formalism

Energy Technology Data Exchange (ETDEWEB)

Talamo, Alberto; Gohar, Yousry, E-mail: alby@anl.gov [Argonne National Laboratory, Lemont, IL (United States); Dulla, Sandra; Ravetto, Piero [Politecnico di Torino (Italy)

2011-07-01

The importance of (n,xn) reactions must be taken into consideration while calculating the kinetic parameters of subcritical assemblies driven by an external neutron source. This study is divided into two parts, the first part is dedicated to the classic definition of the neutron source multiplication factor and two alternative calculation methodologies are compared. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and generation time. This new definition has been modified to take into account the external neutron source and (n,xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly in Belarus. This facility can be driven by californium, deuterium-deuterium (D-D), or deuterium-tritium (D-T) external neutron sources. For the D-T neutron source, (n,xn) reactions must be taken into account in order to produce accurate results because the average energy of D-T source neutrons is 14.1 MeV, a value much higher than the threshold energy of the (n,2n) cross section of uranium isotopes. (author)

Importance of (n,xn) reactions in evaluating kinetic parameters of subcritical assemblies: from classic to modern formalism

International Nuclear Information System (INIS)

Talamo, Alberto; Gohar, Yousry; Dulla, Sandra; Ravetto, Piero

2011-01-01

The importance of (n,xn) reactions must be taken into consideration while calculating the kinetic parameters of subcritical assemblies driven by an external neutron source. This study is divided into two parts, the first part is dedicated to the classic definition of the neutron source multiplication factor and two alternative calculation methodologies are compared. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and generation time. This new definition has been modified to take into account the external neutron source and (n,xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly in Belarus. This facility can be driven by californium, deuterium-deuterium (D-D), or deuterium-tritium (D-T) external neutron sources. For the D-T neutron source, (n,xn) reactions must be taken into account in order to produce accurate results because the average energy of D-T source neutrons is 14.1 MeV, a value much higher than the threshold energy of the (n,2n) cross section of uranium isotopes. (author)

Ice and water droplets on graphite: A comparison of quantum and classical simulations

International Nuclear Information System (INIS)

Ramírez, Rafael; Singh, Jayant K.; Müller-Plathe, Florian; Böhm, Michael C.

2014-01-01

Ice and water droplets on graphite have been studied by quantum path integral and classical molecular dynamics simulations. The point-charge q-TIP4P/F potential was used to model the interaction between flexible water molecules, while the water-graphite interaction was described by a Lennard-Jones potential previously used to reproduce the macroscopic contact angle of water droplets on graphite. Several energetic and structural properties of water droplets with sizes between 10 2 and 10 3 molecules were analyzed in a temperature interval of 50–350 K. The vibrational density of states of crystalline and amorphous ice drops was correlated to the one of ice Ih to assess the influence of the droplet interface and molecular disorder on the vibrational properties. The average distance of covalent OH bonds is found 0.01 Å larger in the quantum limit than in the classical one. The OO distances are elongated by 0.03 Å in the quantum simulations at 50 K. Bond distance fluctuations are large as a consequence of the zero-point vibrations. The analysis of the H-bond network shows that the liquid droplet is more structured in the classical limit than in the quantum case. The average kinetic and potential energy of the ice and water droplets on graphite has been compared with the values of ice Ih and liquid water as a function of temperature. The droplet kinetic energy shows a temperature dependence similar to the one of liquid water, without apparent discontinuity at temperatures where the droplet is solid. However, the droplet potential energy becomes significantly larger than the one of ice or water at the same temperature. In the quantum limit, the ice droplet is more expanded than in a classical description. Liquid droplets display identical density profiles and liquid-vapor interfaces in the quantum and classical limits. The value of the contact angle is not influenced by quantum effects. Contact angles of droplets decrease as the size of the water droplet increases

The ambiguity of simplicity in quantum and classical simulation

International Nuclear Information System (INIS)

Aghamohammadi, Cina; Mahoney, John R.; Crutchfield, James P.

2017-01-01

Highlights: • Simplicity depends on whether a system is represented classically or quantally. • We demonstrate that simplicity is unavoidably ambiguous. • Relative simplicity changes order moving between classical and quantum descriptions. • Ambiguity of simplicity bears directly on model selection. - Abstract: A system's perceived simplicity depends on whether it is represented classically or quantally. This is not so surprising, as classical and quantum physics are descriptive frameworks built on different assumptions that capture, emphasize, and express different properties and mechanisms. What is surprising is that, as we demonstrate, simplicity is ambiguous: the relative simplicity between two systems can change sign when moving between classical and quantum descriptions. Here, we associate simplicity with small model-memory. We see that the notions of absolute physical simplicity at best form a partial, not a total, order. This suggests that appeals to principles of physical simplicity, via Ockham's Razor or to the “elegance” of competing theories, may be fundamentally subjective. Recent rapid progress in quantum computation and quantum simulation suggest that the ambiguity of simplicity will strongly impact statistical inference and, in particular, model selection.

Gyrocenter-gauge kinetic theory

International Nuclear Information System (INIS)

Qin, H.; Tang, W.M.; Lee, W.W.

2000-01-01

Gyrocenter-gauge kinetic theory is developed as an extension of the existing gyrokinetic theories. In essence, the formalism introduced here is a kinetic description of magnetized plasmas in the gyrocenter coordinates which is fully equivalent to the Vlasov-Maxwell system in the particle coordinates. In particular, provided the gyroradius is smaller than the scale-length of the magnetic field, it can treat high frequency range as well as the usual low frequency range normally associated with gyrokinetic approaches. A significant advantage of this formalism is that it enables the direct particle-in-cell simulations of compressional Alfven waves for MHD applications and of RF waves relevant to plasma heating in space and laboratory plasmas. The gyrocenter-gauge kinetic susceptibility for arbitrary wavelength and arbitrary frequency electromagnetic perturbations in a homogeneous magnetized plasma is shown to recover exactly the classical result obtained by integrating the Vlasov-Maxwell system in the particle coordinates. This demonstrates that all the waves supported by the Vlasov-Maxwell system can be studied using the gyrocenter-gauge kinetic model in the gyrocenter coordinates. This theoretical approach is so named to distinguish it from the existing gyrokinetic theory, which has been successfully developed and applied to many important low-frequency and long parallel wavelength problems, where the conventional meaning of gyrokinetic has been standardized. Besides the usual gyrokinetic distribution function, the gyrocenter-gauge kinetic theory emphasizes as well the gyrocenter-gauge distribution function, which sometimes contains all the physics of the problems being studied, and whose importance has not been realized previously. The gyrocenter-gauge distribution function enters Maxwell's equations through the pull-back transformation of the gyrocenter transformation, which depends on the perturbed fields. The efficacy of the gyrocenter-gauge kinetic approach is

Kinetics and hybrid kinetic-fluid models for nonequilibrium gas and plasmas

International Nuclear Information System (INIS)

Crouseilles, N.

2004-12-01

For a few decades, the application of the physics of plasmas has appeared in different fields like laser-matter interaction, astrophysics or thermonuclear fusion. In this thesis, we are interested in the modeling and the numerical study of nonequilibrium gas and plasmas. To describe such systems, two ways are usually used: the fluid description and the kinetic description. When we study a nonequilibrium system, fluid models are not sufficient and a kinetic description have to be used. However, solving a kinetic model requires the discretization of a large number of variables, which is quite expensive from a numerical point of view. The aim of this work is to propose a hybrid kinetic-fluid model thanks to a domain decomposition method in the velocity space. The derivation of the hybrid model is done in two different contexts: the rarefied gas context and the more complicated plasmas context. The derivation partly relies on Levermore's entropy minimization approach. The so-obtained model is then discretized and validated on various numerical test cases. In a second stage, a numerical study of a fully kinetic model is presented. A collisional plasma constituted of electrons and ions is considered through the Vlasov-Poisson-Fokker-Planck-Landau equation. Then, a numerical scheme which preserves total mass and total energy is presented. This discretization permits in particular a numerical study of the Landau damping. (author)

Descriptive set theory

CERN Document Server

Moschovakis, YN

1987-01-01

Now available in paperback, this monograph is a self-contained exposition of the main results and methods of descriptive set theory. It develops all the necessary background material from logic and recursion theory, and treats both classical descriptive set theory and the effective theory developed by logicians.

Reaction dynamics of the four-centered elimination CH2OH + --> CHO + +H2: Measurement of kinetic energy release distribution and classical trajectory calculation

Science.gov (United States)

Lee, Tae Geol; Park, Seung C.; Kim, Myung Soo

1996-03-01

Mass-analyzed ion kinetic energy (MIKE) spectrum of CHO+ generated in the unimolecular dissociation of CH2OH+ was measured. Kinetic energy release distribution (KERD) was evaluated by analyzing the spectrum according to the algorithm developed previously. The average kinetic energy release evaluated from the distribution was extraordinarily large, 1.63 eV, corresponding to 75% of the reverse barrier of the reaction. A global analytical potential energy surface was constructed such that the experimental energetics was represented and that various features in the ab initio potential energy surface were closely reproduced. Classical trajectory calculation was carried out with the global analytical potential energy surface to investigate the causes for the extraordinarily large kinetic energy release. Based on the detailed dynamical calculations, it was found that the strained bending forces at the transition state and strengthening of the CO bond from double to triple bond character were mainly responsible for such a significant kinetic energy release. In addition, the dissociation products H2 and CHO+ ion were found to be rotationally excited in the trajectory calculations. This was attributed to the asymmetry of the transition state and the release of asymmetric bending forces. Also, the bending vibrational modes of CHO+ and the H2 stretching mode, which are coupled with the bending coordinates, were found to be moderately excited.

The ambiguity of simplicity in quantum and classical simulation

Energy Technology Data Exchange (ETDEWEB)

Aghamohammadi, Cina, E-mail: caghamohammadi@ucdavis.edu; Mahoney, John R., E-mail: jrmahoney@ucdavis.edu; Crutchfield, James P., E-mail: chaos@ucdavis.edu

2017-04-11

Highlights: • Simplicity depends on whether a system is represented classically or quantally. • We demonstrate that simplicity is unavoidably ambiguous. • Relative simplicity changes order moving between classical and quantum descriptions. • Ambiguity of simplicity bears directly on model selection. - Abstract: A system's perceived simplicity depends on whether it is represented classically or quantally. This is not so surprising, as classical and quantum physics are descriptive frameworks built on different assumptions that capture, emphasize, and express different properties and mechanisms. What is surprising is that, as we demonstrate, simplicity is ambiguous: the relative simplicity between two systems can change sign when moving between classical and quantum descriptions. Here, we associate simplicity with small model-memory. We see that the notions of absolute physical simplicity at best form a partial, not a total, order. This suggests that appeals to principles of physical simplicity, via Ockham's Razor or to the “elegance” of competing theories, may be fundamentally subjective. Recent rapid progress in quantum computation and quantum simulation suggest that the ambiguity of simplicity will strongly impact statistical inference and, in particular, model selection.

Gauge-fields and integrated quantum-classical theory

International Nuclear Information System (INIS)

Stapp, H.P.

1986-01-01

Physical situations in which quantum systems communicate continuously to their classically described environment are not covered by contemporary quantum theory, which requires a temporary separation of quantum degrees of freedom from classical ones. A generalization would be needed to cover these situations. An incomplete proposal is advanced for combining the quantum and classical degrees of freedom into a unified objective description. It is based on the use of certain quantum-classical structures of light that arise from gauge invariance to coordinate the quantum and classical degrees of freedom. Also discussed is the question of where experimenters should look to find phenomena pertaining to the quantum-classical connection. 17 refs

Kinetic theory and transport phenomena

CERN Document Server

Soto, Rodrigo

2016-01-01

This textbook presents kinetic theory, which is a systematic approach to describing nonequilibrium systems. The text is balanced between the fundamental concepts of kinetic theory (irreversibility, transport processes, separation of time scales, conservations, coarse graining, distribution functions, etc.) and the results and predictions of the theory, where the relevant properties of different systems are computed. The book is organised in thematic chapters where different paradigmatic systems are studied. The specific features of these systems are described, building and analysing the appropriate kinetic equations. Specifically, the book considers the classical transport of charges, the dynamics of classical gases, Brownian motion, plasmas, and self-gravitating systems, quantum gases, the electronic transport in solids and, finally, semiconductors. Besides these systems that are studied in detail, concepts are applied to some modern examples including the quark–gluon plasma, the motion of bacterial suspen...

A study of calculation methodology and experimental measurements of the kinetic parameters for source driven subcritical systems

International Nuclear Information System (INIS)

Lee, Seung Min

2009-01-01

This work presents a theoretical study of reactor kinetics focusing on the methodology of calculation and the experimental measurements of the so-called kinetic parameters. A comparison between the methodology based on the Dulla's formalism and the classical method is made. The objective is to exhibit the dependence of the parameters on subcriticality level and perturbation. Two different slab type systems were considered: thermal one and fast one, both with homogeneous media. One group diffusion model was used for the fast reactor, and for the thermal system, two groups diffusion model, considering, in both case, only one precursor's family. The solutions were obtained using the expansion method. Also, descriptions of the main experimental methods of measurements of the kinetic parameters are presented in order to put a question about the compatibility of these methods in subcritical region. (author)

The derivation of the conventional basis for the classical Lie algebra generators

International Nuclear Information System (INIS)

Karadayi, H.R.

1982-01-01

The explicit construction of the classical Lie algebra generators in the conventional Gell-Mann basis is derived for all irreducible unitary representations of all classical groups. The main framework is based on a description of the simple roots of the classical Lie algebras such that the inter-relations implied by the Cartan matrix of the group among these simple roots are explicit within this description. (author)

Quantum mechanics from classical statistics

International Nuclear Information System (INIS)

Wetterich, C.

2010-01-01

Quantum mechanics can emerge from classical statistics. A typical quantum system describes an isolated subsystem of a classical statistical ensemble with infinitely many classical states. The state of this subsystem can be characterized by only a few probabilistic observables. Their expectation values define a density matrix if they obey a 'purity constraint'. Then all the usual laws of quantum mechanics follow, including Heisenberg's uncertainty relation, entanglement and a violation of Bell's inequalities. No concepts beyond classical statistics are needed for quantum physics - the differences are only apparent and result from the particularities of those classical statistical systems which admit a quantum mechanical description. Born's rule for quantum mechanical probabilities follows from the probability concept for a classical statistical ensemble. In particular, we show how the non-commuting properties of quantum operators are associated to the use of conditional probabilities within the classical system, and how a unitary time evolution reflects the isolation of the subsystem. As an illustration, we discuss a classical statistical implementation of a quantum computer.

Classical analog for electronic degrees of freedom in nonadiabatic collision processes

International Nuclear Information System (INIS)

Meyer, H.; Miller, W.H.

1979-01-01

It is shown how a formally exact classical analog can be defined for a finite dimensional (in Hilbert space) quantum mechanical system. This approach is then used to obtain a classical model for the electronic degrees of freedom in a molecular collision system, and the combination of this with the usual classical description of the heavy particle (i.e., nuclear) motion provides a completely classical model for the electronic and heavy particle degrees of freedom. The resulting equations of motion are shown to be equivalent to describing the electronic degrees of freedom by the time-dependent Schroedinger equation, the time dependence arising from the classical motion of the nuclei, the trajectory of which is determined by the quantum mechanical average (i.e., Ehrenfest) force on the nuclei. Quantizing the system via classical S-matrix theory is shown to provide a dynamically consistent description of nonadiabatic collision processes; i.e., different electronic transitions have different heavy particle trajectories and, for example, the total energy of the electronic and heavy particle degrees of freedom is conserved. Application of this classical model for the electronic degrees of freedom (plus classical S-matrix theory) to the two-state model problem shows that the approach provides a good description of the electronic dynamics

Zwitters: Particles between quantum and classical

International Nuclear Information System (INIS)

Wetterich, C.

2012-01-01

We describe both quantum particles and classical particles in terms of a classical statistical ensemble, with a probability distribution in phase space. By use of a wave function in phase space both can be treated in the same quantum formalism. Quantum particles are characterized by a specific choice of observables and time evolution of the probability density. Then interference and tunneling are found within classical statistics. Zwitters are (effective) one-particle states for which the time evolution interpolates between quantum and classical particles. Experimental bounds on a small parameter can test quantum mechanics. -- Highlights: ► Quantum particles can be described within classical statistics. ► Classical particles are formulated in quantum formalism. ► Zwitters interpolate between classical and quantum particles. ► Zwitters allow for quantitative tests of quantum mechanics. ► Zwitters could be effective one-particle descriptions of droplets.

Leading-order classical Lagrangians for the nonminimal standard-model extension

Science.gov (United States)

Reis, J. A. A. S.; Schreck, M.

2018-03-01

In this paper, we derive the general leading-order classical Lagrangian covering all fermion operators of the nonminimal standard-model extension (SME). Such a Lagrangian is considered to be the point-particle analog of the effective field theory description of Lorentz violation that is provided by the SME. At leading order in Lorentz violation, the Lagrangian obtained satisfies the set of five nonlinear equations that govern the map from the field theory to the classical description. This result can be of use for phenomenological studies of classical bodies in gravitational fields.

Analogies between classical statistical mechanics and quantum mechanics

International Nuclear Information System (INIS)

Uehara, M.

1986-01-01

Some analogies between nonequilibrium classical statistical mechanics and quantum mechanics, at the level of the Liouville equation and at the kinetic level, are commented on. A theorem, related to the Vlasov equation applied to a plasma, is proved. The theorem presents an analogy with Ehrenfest's theorem of quantum mechanics. An analogy between the plasma kinetic theory and Bohm's quantum theory with 'hidden variables' is also shown. (Author) [pt

A Classical Based Derivation of Time Dilation Providing First Order Accuracy to Schwarzschild's Solution of Einstein's Field Equations

Science.gov (United States)

Austin, Rickey W.

In Einstein's theory of Special Relativity (SR), one method to derive relativistic kinetic energy is via applying the classical work-energy theorem to relativistic momentum. This approach starts with a classical based work-energy theorem and applies SR's momentum to the derivation. One outcome of this derivation is relativistic kinetic energy. From this derivation, it is rather straight forward to form a kinetic energy based time dilation function. In the derivation of General Relativity a common approach is to bypass classical laws as a starting point. Instead a rigorous development of differential geometry and Riemannian space is constructed, from which classical based laws are derived. This is in contrast to SR's approach of starting with classical laws and applying the consequences of the universal speed of light by all observers. A possible method to derive time dilation due to Newtonian gravitational potential energy (NGPE) is to apply SR's approach to deriving relativistic kinetic energy. It will be shown this method gives a first order accuracy compared to Schwarzschild's metric. The SR's kinetic energy and the newly derived NGPE derivation are combined to form a Riemannian metric based on these two energies. A geodesic is derived and calculations compared to Schwarzschild's geodesic for an orbiting test mass about a central, non-rotating, non-charged massive body. The new metric results in high accuracy calculations when compared to Einsteins General Relativity's prediction. The new method provides a candidate approach for starting with classical laws and deriving General Relativity effects. This approach mimics SR's method of starting with classical mechanics when deriving relativistic equations. As a compliment to introducing General Relativity, it provides a plausible scaffolding method from classical physics when teaching introductory General Relativity. A straight forward path from classical laws to General Relativity will be derived. This derivation

Comparison of lower limb kinetics during vertical jumps in turnout and neutral foot positions by classical ballet dancers.

Science.gov (United States)

Imura, Akiko; Iino, Yoichi

2017-03-01

The purpose of this study was to investigate the effect of hip external rotation (turnout) on lower limb kinetics during vertical jumps by classical ballet dancers. Vertical jumps in a turnout (TJ) and a neutral hip position (NJ) performed by 12 classical female ballet dancers were analysed through motion capture, recording of the ground reaction forces, and inverse dynamics analysis. At push-off, the lower trunk leaned forward 18.2° and 20.1° in the TJ and NJ, respectively. The dancers jumped lower in the TJ than in the NJ. The knee extensor and hip abductor torques were smaller, whereas the hip external rotator torque was larger in the TJ than in the NJ. The work done by the hip joint moments in the sagittal plane was 0.28 J/(Body mass*Height) and 0.33 J/(Body mass*Height) in the TJ and NJ, respectively. The joint work done by the lower limbs were not different between the two jumps. These differences resulted from different planes in which the lower limb flexion-extension occurred, i.e. in the sagittal or frontal plane. This would prevent the forward lean of the trunk by decreasing the hip joint work in the sagittal plane and reduce the knee extensor torque in the jump.

Qualitative and quantitative descriptions of glenohumeral motion.

Science.gov (United States)

Hill, A M; Bull, A M J; Wallace, A L; Johnson, G R

2008-02-01

Joint modelling plays an important role in qualitative and quantitative descriptions of both normal and abnormal joints, as well as predicting outcomes of alterations to joints in orthopaedic practice and research. Contemporary efforts in modelling have focussed upon the major articulations of the lower limb. Well-constrained arthrokinematics can form the basis of manageable kinetic and dynamic mathematical predictions. In order to contain computation of shoulder complex modelling, glenohumeral joint representations in both limited and complete shoulder girdle models have undergone a generic simplification. As such, glenohumeral joint models are often based upon kinematic descriptions of inadequate degrees of freedom (DOF) for clinical purposes and applications. Qualitative descriptions of glenohumeral motion range from the parody of a hinge joint to the complex realism of a spatial joint. In developing a model, a clear idea of intention is required in order to achieve a required application. Clinical applicability of a model requires both descriptive and predictive output potentials, and as such, a high level of validation is required. Without sufficient appreciation of the clinical intention of the arthrokinematic foundation to a model, error is all too easily introduced. Mathematical description of joint motion serves to quantify all relevant clinical parameters. Commonly, both the Euler angle and helical (screw) axis methods have been applied to the glenohumeral joint, although concordance between these methods and classical anatomical appreciation of joint motion is limited, resulting in miscommunication between clinician and engineer. Compounding these inconsistencies in motion quantification is gimbal lock and sequence dependency.

Hydrogen atom as a quantum-classical hybrid system

International Nuclear Information System (INIS)

Zhan, Fei; Wu, Biao

2013-01-01

Hydrogen atom is studied as a quantum-classical hybrid system, where the proton is treated as a classical object while the electron is regarded as a quantum object. We use a well known mean-field approach to describe this hybrid hydrogen atom; the resulting dynamics for the electron and the proton is compared to their full quantum dynamics. The electron dynamics in the hybrid description is found to be only marginally different from its full quantum counterpart. The situation is very different for the proton: in the hybrid description, the proton behaves like a free particle; in the fully quantum description, the wave packet center of the proton orbits around the center of mass. Furthermore, we find that the failure to describe the proton dynamics properly can be regarded as a manifestation of the fact that there is no conservation of momentum in the mean-field hybrid approach. We expect that such a failure is a common feature for all existing approaches for quantum-classical hybrid systems of Born-Oppenheimer type.

Statistical descriptions of polydisperse turbulent two-phase flows

Energy Technology Data Exchange (ETDEWEB)

Minier, Jean-Pierre, E-mail: jean-pierre.minier@edf.fr

2016-12-15

results for dynamical systems influenced by colored or white noises are established which point to the necessity of developing statistical models for particles in random media from a new standpoint that breaks away from descriptions based only on particle kinetic variables. This is needed to obtain well-posed formulations of particle dispersion by non fully-resolved turbulent flows and suggests also to revisit classical ideas of particle–particle interactions in the presence of a turbulent flow which correlates the dynamics of colliding discrete elements.

REVISITING A CLASSIC: THE PARKER–MOFFATT PROBLEM

International Nuclear Information System (INIS)

Pezzi, O.; Servidio, S.; Valentini, F.; Malara, F.; Veltri, P.; Parashar, T. N.; Yang, Y.; Matthaeus, W. H.; Vásconez, C. L.

2017-01-01

The interaction of two colliding Alfvén wave packets is described here by means of magnetohydrodynamics (MHD) and hybrid kinetic numerical simulations. The MHD evolution revisits the theoretical insights described by Moffatt, Parker, Kraichnan, Chandrasekhar, and Elsässer in which the oppositely propagating large-amplitude wave packets interact for a finite time, initiating turbulence. However, the extension to include compressive and kinetic effects, while maintaining the gross characteristics of the simpler classic formulation, also reveals intriguing features that go beyond the pure MHD treatment.

REVISITING A CLASSIC: THE PARKER–MOFFATT PROBLEM

Energy Technology Data Exchange (ETDEWEB)

Pezzi, O.; Servidio, S.; Valentini, F.; Malara, F.; Veltri, P. [Dipartimento di Fisica, Università della Calabria, 87036 Rende (CS) (Italy); Parashar, T. N.; Yang, Y.; Matthaeus, W. H. [Department of Physics and Astronomy, University of Delaware, DE 19716 (United States); Vásconez, C. L. [Departamento de Física, Escuela Politécnica Nacional, Quito (Ecuador)

2017-01-10

The interaction of two colliding Alfvén wave packets is described here by means of magnetohydrodynamics (MHD) and hybrid kinetic numerical simulations. The MHD evolution revisits the theoretical insights described by Moffatt, Parker, Kraichnan, Chandrasekhar, and Elsässer in which the oppositely propagating large-amplitude wave packets interact for a finite time, initiating turbulence. However, the extension to include compressive and kinetic effects, while maintaining the gross characteristics of the simpler classic formulation, also reveals intriguing features that go beyond the pure MHD treatment.

Classical dynamics a modern perspective

CERN Document Server

Sudarshan, Ennackal Chandy George

2016-01-01

Classical dynamics is traditionally treated as an early stage in the development of physics, a stage that has long been superseded by more ambitious theories. Here, in this book, classical dynamics is treated as a subject on its own as well as a research frontier. Incorporating insights gained over the past several decades, the essential principles of classical dynamics are presented, while demonstrating that a number of key results originally considered only in the context of quantum theory and particle physics, have their foundations in classical dynamics.Graduate students in physics and practicing physicists will welcome the present approach to classical dynamics that encompasses systems of particles, free and interacting fields, and coupled systems. Lie groups and Lie algebras are incorporated at a basic level and are used in describing space-time symmetry groups. There is an extensive discussion on constrained systems, Dirac brackets and their geometrical interpretation. The Lie-algebraic description of ...

Kinetic coefficients for quark-antiquark plasma with quantal treatment of color

International Nuclear Information System (INIS)

Dyrek, A.; Florkowski, W.

1986-07-01

We discuss the near-equilibrium state of the q-bar q plasma treated as a system of classical particles with quantized color charges. The matrix of the kinetic coefficients is calculated (in the relaxation approximation of the transport equation) and compared with its classical version. The color Ohm law is recovered but the structure of the kinetic matrix is different. 5 refs. (author)

Li+ solvation and kinetics of Li+-BF4-/PF6- ion pairs in ethylene carbonate. A molecular dynamics study with classical rate theories

Science.gov (United States)

Chang, Tsun-Mei; Dang, Liem X.

2017-10-01

Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ethylene carbonate (EC) exchange process between the first and second solvation shells around Li+ and the dissociation kinetics of ion pairs Li+-[BF4] and Li+-[PF6] in this solvent. We calculate the exchange rates using transition state theory and correct them with transmission coefficients computed by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found that the residence times of EC around Li+ ions varied from 60 to 450 ps, depending on the correction method used. We found that the relaxation times changed significantly from Li+-[BF4] to Li+-[PF6] ion pairs in EC. Our results also show that, in addition to affecting the free energy of dissociation in EC, the anion type also significantly influences the dissociation kinetics of ion pairing.

On normal modes in classical Hamiltonian systems

NARCIS (Netherlands)

van Groesen, Embrecht W.C.

1983-01-01

Normal modes of Hamittonian systems that are even and of classical type are characterized as the critical points of a normalized kinetic energy functional on level sets of the potential energy functional. With the aid of this constrained variational formulation the existence of at least one family

Foldy-Wouthuysen transformations for the classical relativistic electron. Non grassmannian description

International Nuclear Information System (INIS)

Pupasov-Maksimov, Andrey; Deriglazov, Alexei

2012-01-01

Full text: We consider a classical model of the relativistic electron proposed by A. Deriglazov in Phys. Lett. A 376 (2012) 309-313. Though this model contains only bosonic variables, its quantization leads to the Dirac equation and one-particle relativistic quantum mechanics of the electron. There are constraints and gauge symmetries, therefore 18 initial variables of the model {x μ , p μ , ω A , π A }, μ is an element of (0,4), A is an element of (0,5) do not correspond to the observable quantities. There are 10 physical degrees of freedom implying another set of 10 gauge invariant variables which will be interpreted as physically observable quantities. On the other hand, to have a consistent one-particle relativistic quantum mechanics one has to consider only even operators which do not mix quantum states with positive and negative energy states. Such separation can be obtained with the Foldy-Wouthuysen transformation and leads to the Foldy-Wouthuysen representation with new operators for coordinates and spin (so-called Newton-Wigner coordinates). In the present work we match these to pictures by comparing the choice of the gauge invariant classical variables and the transition to the even operators in the quantum mechanics. We study different canonical transformations of this classical model in order to separate the set of observable quantities from variables with ambiguous dynamics. The constraints of the model in the case of free particle can be chosen in such a way that the Dirac brackets coincide with the Poisson brackets. This choice significantly simplify calculations of transformed variables. Moreover, new variables are canonical variables by construction. It is shown that the following generator of an infinitesimal canonical transformation S=1/2J 5j p j A(p 2 ), can be associated with the Foldy-Wouthuysen transformation. Thus we obtain a classical analog of the Foldy- Wouthuysen transformation. Moreover, the gauge invariant variables in the

Neutron inverse kinetics via Gaussian Processes

International Nuclear Information System (INIS)

Picca, Paolo; Furfaro, Roberto

2012-01-01

Highlights: ► A novel technique for the interpretation of experiments in ADS is presented. ► The technique is based on Bayesian regression, implemented via Gaussian Processes. ► GPs overcome the limits of classical methods, based on PK approximation. ► Results compares GPs and ANN performance, underlining similarities and differences. - Abstract: The paper introduces the application of Gaussian Processes (GPs) to determine the subcriticality level in accelerator-driven systems (ADSs) through the interpretation of pulsed experiment data. ADSs have peculiar kinetic properties due to their special core design. For this reason, classical – inversion techniques based on point kinetic (PK) generally fail to generate an accurate estimate of reactor subcriticality. Similarly to Artificial Neural Networks (ANNs), Gaussian Processes can be successfully trained to learn the underlying inverse neutron kinetic model and, as such, they are not limited to the model choice. Importantly, GPs are strongly rooted into the Bayes’ theorem which makes them a powerful tool for statistical inference. Here, GPs have been designed and trained on a set of kinetics models (e.g. point kinetics and multi-point kinetics) for homogeneous and heterogeneous settings. The results presented in the paper show that GPs are very efficient and accurate in predicting the reactivity for ADS-like systems. The variance computed via GPs may provide an indication on how to generate additional data as function of the desired accuracy.

Holographic kinetic k-essence model

Energy Technology Data Exchange (ETDEWEB)

Cruz, Norman [Departamento de Fisica, Facultad de Ciencia, Universidad de Santiago de Chile, Casilla 307, Santiago (Chile)], E-mail: ncruz@lauca.usach.cl; Gonzalez-Diaz, Pedro F.; Rozas-Fernandez, Alberto [Colina de los Chopos, Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 121, 28006 Madrid (Spain)], E-mail: a.rozas@cfmac.csic.es; Sanchez, Guillermo [Departamento de Matematica y Ciencia de la Computacion, Facultad de Ciencia, Universidad de Santiago de Chile, Casilla 307, Santiago (Chile)], E-mail: gsanchez@usach.cl

2009-08-31

We consider a connection between the holographic dark energy density and the kinetic k-essence energy density in a flat FRW universe. With the choice c{>=}1, the holographic dark energy can be described by a kinetic k-essence scalar field in a certain way. In this Letter we show this kinetic k-essential description of the holographic dark energy with c{>=}1 and reconstruct the kinetic k-essence function F(X)

Initial state dependence of nonlinear kinetic equations: The classical electron gas

International Nuclear Information System (INIS)

Marchetti, M.C.; Cohen, E.G.D.; Dorfman, J.R.; Kirkpatrick, T.R.

1985-01-01

The method of nonequilibrium cluster expansion is used to study the decay to equilibrium of a weakly coupled inhomogeneous electron gas prepared in a local equilibrium state at the initial time, t=0. A nonlinear kinetic equation describing the long time behavior of the one-particle distribution function is obtained. For consistency, initial correlations have to be taken into account. The resulting kinetic equation-differs from that obtained when the initial state of the system is assumed to be factorized in a product of one-particle functions. The question of to what extent correlations in the initial state play an essential role in determining the form of the kinetic equation at long times is discussed. To that end, the present calculations are compared wih results obtained before for hard sphere gases and in general with strong short-range forces. A partial answer is proposed and some open questions are indicated

General classical and quantum-mechanical description of magnetic resonance: an application to electric-dipole-moment experiments

Energy Technology Data Exchange (ETDEWEB)

Silenko, Alexander J. [Belarusian State University, Research Institute for Nuclear Problems, Minsk (Belarus); Joint Institute for Nuclear Research, Bogoliubov Laboratory of Theoretical Physics, Dubna (Russian Federation)

2017-05-15

A general theoretical description of a magnetic resonance is presented. This description is necessary for a detailed analysis of spin dynamics in electric-dipole-moment experiments in storage rings. General formulas describing a behavior of all components of the polarization vector at the magnetic resonance are obtained for an arbitrary initial polarization. These formulas are exact on condition that the nonresonance rotating field is neglected. The spin dynamics is also calculated at frequencies far from resonance with allowance for both rotating fields. A general quantum-mechanical analysis of the spin evolution at the magnetic resonance is fulfilled and the full agreement between the classical and quantum-mechanical approaches is shown. Quasimagnetic resonances for particles and nuclei moving in noncontinuous perturbing fields of accelerators and storage rings are considered. Distinguishing features of quasimagnetic resonances in storage ring electric-dipole-moment experiments are investigated in detail. The exact formulas for the effect caused by the electric dipole moment are derived. The difference between the resonance effects conditioned by the rf electric-field flipper and the rf Wien filter is found and is calculated for the first time. The existence of this difference is crucial for the establishment of a consent between analytical derivations and computer simulations and for checking spin tracking programs. The main systematical errors are considered. (orig.)

Principles of chemical kinetics

CERN Document Server

House, James E

2007-01-01

James House's revised Principles of Chemical Kinetics provides a clear and logical description of chemical kinetics in a manner unlike any other book of its kind. Clearly written with detailed derivations, the text allows students to move rapidly from theoretical concepts of rates of reaction to concrete applications. Unlike other texts, House presents a balanced treatment of kinetic reactions in gas, solution, and solid states. The entire text has been revised and includes many new sections and an additional chapter on applications of kinetics. The topics covered include quantitative rela

Some remarks concerning relativistic kinetic theory

International Nuclear Information System (INIS)

Schroeter, J.

1990-01-01

The starting point of our investigation is a classical kinetic theory which includes correlational effects as well as the complete electromagnetic interaction. Also classical gravitation can be incorporated. The relativistic version of this theory is written down using some heuristic arguments. Its essential feature is the difference between terms representing gravitational interaction and the metric tensor representing geometrical properties. (author)

Classical model of intermediate statistics

International Nuclear Information System (INIS)

Kaniadakis, G.

1994-01-01

In this work we present a classical kinetic model of intermediate statistics. In the case of Brownian particles we show that the Fermi-Dirac (FD) and Bose-Einstein (BE) distributions can be obtained, just as the Maxwell-Boltzmann (MD) distribution, as steady states of a classical kinetic equation that intrinsically takes into account an exclusion-inclusion principle. In our model the intermediate statistics are obtained as steady states of a system of coupled nonlinear kinetic equations, where the coupling constants are the transmutational potentials η κκ' . We show that, besides the FD-BE intermediate statistics extensively studied from the quantum point of view, we can also study the MB-FD and MB-BE ones. Moreover, our model allows us to treat the three-state mixing FD-MB-BE intermediate statistics. For boson and fermion mixing in a D-dimensional space, we obtain a family of FD-BE intermediate statistics by varying the transmutational potential η BF . This family contains, as a particular case when η BF =0, the quantum statistics recently proposed by L. Wu, Z. Wu, and J. Sun [Phys. Lett. A 170, 280 (1992)]. When we consider the two-dimensional FD-BE statistics, we derive an analytic expression of the fraction of fermions. When the temperature T→∞, the system is composed by an equal number of bosons and fermions, regardless of the value of η BF . On the contrary, when T=0, η BF becomes important and, according to its value, the system can be completely bosonic or fermionic, or composed both by bosons and fermions

Classical dissipation and transport in plasmas

International Nuclear Information System (INIS)

Hinton, F.L.

1989-01-01

This paper reviews the subject of classical and neoclassical transport. The paper is organized into four main parts, dealing with plasma kinetic theory, classical transport, neoclassical transport, and the present state of the subject. The results of the neoclassical theory of transport are still being used to give the lower limit on the transport rates in tokamaks, which would apply if instabilities and turbulence could be suppressed. So far, only the ion thermal conductivity and the current density have been found experimentally to agree with this theory, and only under special conditions. The electron thermal conductivity has been found experimentally to be much larger than the neoclassical prediction

Classical kinetic equations for orientational effects with account for the two-particle correlation function of a crystal

International Nuclear Information System (INIS)

Ol'khovskij, I.I.; Sadykov, N.M.

1980-01-01

The paper deals with the development of classical-statistical approach to the orientational effect theory with account of the influence of the two-particle correlation function of a crystal on diffusion processes. Peculiarities of fast particle movement in the crystal moving at small angles to crystallographic axes and planes are caused by a great number of correlated collisions of the beam particle with the crystal atoms during which the particle slightly deviates in each collision from the direction of its movement before the collision. Obtained is the kinetic equation for the distribution function over coordinates and velocities describing the movement of these particles in the crystal. Lacking the particle deceleration the equation describing movement of the beam particles in the averaged potential and their diffusion by velocities is also obtained. The main peculiarity of these equations is the fact that they take into account strong spatial non-uniformity in the crystal atom distribution [ru

Trajectory-based understanding of the quantum-classical transition for barrier scattering

Science.gov (United States)

Chou, Chia-Chun

2018-06-01

The quantum-classical transition of wave packet barrier scattering is investigated using a hydrodynamic description in the framework of a nonlinear Schrödinger equation. The nonlinear equation provides a continuous description for the quantum-classical transition of physical systems by introducing a degree of quantumness. Based on the transition equation, the transition trajectory formalism is developed to establish the connection between classical and quantum trajectories. The quantum-classical transition is then analyzed for the scattering of a Gaussian wave packet from an Eckart barrier and the decay of a metastable state. Computational results for the evolution of the wave packet and the transmission probabilities indicate that classical results are recovered when the degree of quantumness tends to zero. Classical trajectories are in excellent agreement with the transition trajectories in the classical limit, except in some regions where transition trajectories cannot cross because of the single-valuedness of the transition wave function. As the computational results demonstrate, the process that the Planck constant tends to zero is equivalent to the gradual removal of quantum effects originating from the quantum potential. This study provides an insightful trajectory interpretation for the quantum-classical transition of wave packet barrier scattering.

Classical approach in atomic physics

International Nuclear Information System (INIS)

Solov'ev, E.A.

2011-01-01

The application of a classical approach to various quantum problems - the secular perturbation approach to quantization of a hydrogen atom in external fields and a helium atom, the adiabatic switching method for calculation of a semiclassical spectrum of a hydrogen atom in crossed electric and magnetic fields, a spontaneous decay of excited states of a hydrogen atom, Gutzwiller's approach to Stark problem, long-lived excited states of a helium atom discovered with the help of Poincare section, inelastic transitions in slow and fast electron-atom and ion-atom collisions - is reviewed. Further, a classical representation in quantum theory is discussed. In this representation the quantum states are treated as an ensemble of classical states. This approach opens the way to an accurate description of the initial and final states in classical trajectory Monte Carlo (CTMC) method and a purely classical explanation of tunneling phenomenon. The general aspects of the structure of the semiclassical series such as renormalization group symmetry, criterion of accuracy and so on are reviewed as well. (author)

Classical and quantum position-dependent mass harmonic oscillators

International Nuclear Information System (INIS)

Cruz y Cruz, S.; Negro, J.; Nieto, L.M.

2007-01-01

The position-dependent mass oscillator is studied from both, classical and quantum mechanical points of view, in order to discuss the ambiguity on the operator ordering of the kinetic term in the quantum framework. The results are illustrated by some examples of specific mass functions

Complex Reaction Kinetics in Chemistry: A Unified Picture Suggested by Mechanics in Physics

Directory of Open Access Journals (Sweden)

Elena Agliari

2018-01-01

Full Text Available Complex biochemical pathways can be reduced to chains of elementary reactions, which can be described in terms of chemical kinetics. Among the elementary reactions so far extensively investigated, we recall the Michaelis-Menten and the Hill positive-cooperative kinetics, which apply to molecular binding and are characterized by the absence and the presence, respectively, of cooperative interactions between binding sites. However, there is evidence of reactions displaying a more complex pattern: these follow the positive-cooperative scenario at small substrate concentration, yet negative-cooperative effects emerge as the substrate concentration is increased. Here, we analyze the formal analogy between the mathematical backbone of (classical reaction kinetics in Chemistry and that of (classical mechanics in Physics. We first show that standard cooperative kinetics can be framed in terms of classical mechanics, where the emerging phenomenology can be obtained by applying the principle of least action of classical mechanics. Further, since the saturation function plays in Chemistry the same role played by velocity in Physics, we show that a relativistic scaffold naturally accounts for the kinetics of the above-mentioned complex reactions. The proposed formalism yields to a unique, consistent picture for cooperative-like reactions and to a stronger mathematical control.

Generalization of the Activated Complex Theory of Reaction Rates. II. Classical Mechanical Treatment

Science.gov (United States)

Marcus, R. A.

1964-01-01

In its usual classical form activated complex theory assumes a particular expression for the kinetic energy of the reacting system -- one associated with a rectilinear motion along the reaction coordinate. The derivation of the rate expression given in the present paper is based on the general kinetic energy expression.

Heparin kinetics

International Nuclear Information System (INIS)

Swart, C.A.M. de.

1983-01-01

The author has studied the kinetics of heparin and heparin fractions after intravenous administration in humans and in this thesis the results of this study are reported. Basic knowledge about the physico-chemical properties of heparin and its interactions with proteins resulting in anticoagulant and lipolytic effects are discussed in a review (chapter II), which also comprises some clinical aspects of heparin therapy. In chapter III the kinetics of the anticoagulant effect are described after intravenous administration of five commercial heparin preparations. A mathematical model is presented that fits best to these kinetics. The kinetics of the anticoagulant and lipolytic effects after intravenous injection of various 35 S-radiolabelled heparin fractions and their relationship with the disappearance of the radiolabel are described in chapter IV. Chapter V gives a description of the kinetics of two radiolabels after injection of in vitro formed complexes consisting of purified, 125 I-radiolabelled antithrombin III and various 35 S-radiolabelled heparin fractions. (Auth.)

Kinetics of niobium carbide precipitation in ferrite

International Nuclear Information System (INIS)

Gendt, D.

2001-01-01

The aim of this study is to develop a NbC precipitation modelling in ferrite. This theoretical study is motivated by the fact it considers a ternary system and focus on the concurrence of two different diffusion mechanisms. An experimental study with TEP, SANS and Vickers micro-hardening measurements allows a description of the NbC precipitation kinetics. The mean radius of the precipitates is characterized by TEM observations. To focus on the nucleation stage, we use the Tomographic Atom Probe that analyses, at an atomistic scale, the position of the solute atoms in the matrix. A first model based on the classical nucleation theory and the diffusion-limited growth describes the precipitation of spherical precipitates. To solve the set of equations, we use a numerical algorithm that furnishes an evaluation of the precipitated fraction, the mean radius and the whole size distribution of the particles. The parameters that are the interface energy, the solubility product and the diffusion coefficients are fitted with the data available in the literature and our experimental results. It allows a satisfactory agreement as regards to the simplicity of the model. Monte Carlo simulations are used to describe the evolution of a ternary alloy Fe-Nb-C on a cubic centred rigid lattice with vacancy and interstitial mechanisms. This is realized with an atomistic description of the atoms jumps and their related frequencies. The model parameters are fitted with phase diagrams and diffusion coefficients. For the sake of simplicity, we consider that the precipitation of NbC is totally coherent and we neglect any elastic strain effect. We can observe different kinetic paths: for low supersaturations, we find an expected precipitation of NbC but for higher supersaturations, the very fast diffusivity of carbon atoms conducts to the nucleation of iron carbide particles. We establish that the occurrence of this second phenomenon depends on the vacancy arrival kinetics and can be related

Hamiltonian structure of reduced fluid models for plasmas obtained from a kinetic description

International Nuclear Information System (INIS)

Guillebon, L. de; Chandre, C.

2012-01-01

We consider the Hamiltonian structure of reduced fluid models obtained from a kinetic description of collisionless plasmas by Vlasov–Maxwell equations. We investigate the possibility of finding Poisson subalgebras associated with fluid models starting from the Vlasov–Maxwell Poisson algebra. In this way, we show that the only possible Poisson subalgebra involves the moments of zeroth and first order of the Vlasov distribution, meaning the fluid density and the fluid velocity. We find that the bracket derived in [B.A. Shadwick, G.M. Tarkenton, E.H. Esarey, Phys. Rev. Lett. 93 (2004) 175002] which involves moments of order 2 is not a Poisson bracket since it does not satisfy the Jacobi identity. -- Highlights: ► We investigate fluid reductions from the Vlasov–Maxwell Poisson bracket. ► The only Poisson subalgebra involves fluid density and fluid velocity. ► The bracket derived in [B.A. Shadwick, G.M. Tarkenton, E.H. Esarey, Phys. Rev. Lett. 93 (2004) 175002] is not Hamiltonian.

Tantalum high-temperature oxidation kinetics

International Nuclear Information System (INIS)

Grigor'ev, Yu.M.; Sarkisyan, A.A.; Merzhanov, A.G.

1981-01-01

Kinetics of heat release and scale growth during tantalum oxidation within 650-1300 deg C temperature range in oxygen-containing media is investigated. Kinetic equations and temperature and pressure dependences of constants are ound Applicability of the kinetic Lorie mechanism for the description of the tantalum oxidation kinetics applicably to rapid-passing processes is shown. It is stated that the process rate (reaction ability) is determined by adsorption desorption factors on the external surface of the ''protective'' oxide for the ''linear'' oxidation stage [ru

The ambiguity of simplicity in quantum and classical simulation

Science.gov (United States)

Aghamohammadi, Cina; Mahoney, John R.; Crutchfield, James P.

2017-04-01

A system's perceived simplicity depends on whether it is represented classically or quantally. This is not so surprising, as classical and quantum physics are descriptive frameworks built on different assumptions that capture, emphasize, and express different properties and mechanisms. What is surprising is that, as we demonstrate, simplicity is ambiguous: the relative simplicity between two systems can change sign when moving between classical and quantum descriptions. Here, we associate simplicity with small model-memory. We see that the notions of absolute physical simplicity at best form a partial, not a total, order. This suggests that appeals to principles of physical simplicity, via Ockham's Razor or to the ;elegance; of competing theories, may be fundamentally subjective. Recent rapid progress in quantum computation and quantum simulation suggest that the ambiguity of simplicity will strongly impact statistical inference and, in particular, model selection.

Kinetic theory for electron dynamics near a positive ion

International Nuclear Information System (INIS)

Wrighton, Jeffrey M; Dufty, James W

2008-01-01

A theoretical description of time correlation functions for electron properties in the presence of a positive ion of charge number Z is given. The simplest case of an electron gas distorted by a single ion is considered. A semi-classical representation with a regularized electron–ion potential is used to obtain a linear kinetic theory that is asymptotically exact at short times. This Markovian approximation includes all initial (equilibrium) electron–electron and electron–ion correlations through renormalized pair potentials. The kinetic theory is solved in terms of single-particle trajectories of the electron–ion potential and a dielectric function for the inhomogeneous electron gas. The results are illustrated by a calculation of the autocorrelation function for the electron field at the ion. The dependence on charge number Z is shown to be dominated by the bound states of the effective electron–ion potential. On this basis, a very simple practical representation of the trajectories is proposed and shown to be accurate over a wide range including strong electron–ion coupling. This simple representation is then used for a brief analysis of the dielectric function for the inhomogeneous electron gas

Stochastic semi-classical description of sub-barrier fusion reactions

Directory of Open Access Journals (Sweden)

Ayik Sakir

2011-10-01

Full Text Available A semi-classical method that incorporates the quantum effects of the low-lying vibrational modes is applied to fusion reactions. The quantum effect is simulated by stochastic sampling of initial zero-point fluctuations of the surface modes. In this model, dissipation of the relative energy into non-collective excitations of nuclei can be included straightforwardly. The inclusion of dissipation is shown to increase the agreement with the fusion cross section data of Ni isotopes.

Classical region of a trapped Bose gas

Energy Technology Data Exchange (ETDEWEB)

Blakie, P Blair [Jack Dodd Centre for Photonics and Ultra-Cold Atoms, University of Otago, Dunedin (New Zealand); Davis, Matthew J [ARC Centre of Excellence for Quantum-Atom Optics, School of Physical Sciences, University of Queensland, Brisbane, QLD 4072 (Australia)

2007-06-14

The classical region of a Bose gas consists of all single particle modes that have a high average occupation and are well described by a classical field. Highly occupied modes only occur in massive Bose gases at ultra-cold temperatures, in contrast to the photon case where there are highly occupied modes at all temperatures. For the Bose gas the number of these modes is dependent on the temperature, the total number of particles and their interaction strength. In this paper, we characterize the classical region of a harmonically trapped Bose gas over a wide parameter regime. We use a Hartree-Fock approach to account for the effects of interactions, which we observe to significantly change the classical region as compared to the idealized case. We compare our results to full classical field calculations and show that the Hartree-Fock approach provides a qualitatively accurate description of a classical region for the interacting gas.

Numerical stability of finite difference algorithms for electrochemical kinetic simulations: Matrix stability analysis of the classic explicit, fully implicit and Crank-Nicolson methods and typical problems involving mixed boundary conditions

DEFF Research Database (Denmark)

Bieniasz, Leslaw K.; Østerby, Ole; Britz, Dieter

1995-01-01

The stepwise numerical stability of the classic explicit, fully implicit and Crank-Nicolson finite difference discretizations of example diffusional initial boundary value problems from electrochemical kinetics has been investigated using the matrix method of stability analysis. Special attention...... has been paid to the effect of the discretization of the mixed, linear boundary condition with time-dependent coefficients on stability, assuming the two-point forward-difference approximations for the gradient at the left boundary (electrode). Under accepted assumptions one obtains the usual...... stability criteria for the classic explicit and fully implicit methods. The Crank-Nicolson method turns out to be only conditionally stable in contrast to the current thought regarding this method....

Kinetic mean field theories: Results of energy constraint in maximizing entropy

NARCIS (Netherlands)

Stell, G.; Karkheck, J.; Beijeren, H. van

1983-01-01

Structure of liquids and solids; crystallography Classical, semiclassical, and quantum theories of liquid structure Statistical theories of liquid structure - Kinetic and transport theory of fluids; physical properties of gases Kinetic and transport theory

Microscopic and semi-classical treatments of octupole deformation in the light actinides

International Nuclear Information System (INIS)

Chasman, R.R.

1984-01-01

Microscopic and semi-classical descriptions of octupole deformation are compared. New semi-classical results, obtained with the use of a Woods-Saxon potential are presented. Comparisons with experiment are made. 21 references

Reactor kinetics revisited: a coefficient based model (CBM)

International Nuclear Information System (INIS)

Ratemi, W.M.

2011-01-01

In this paper, a nuclear reactor kinetics model based on Guelph expansion coefficients calculation ( Coefficients Based Model, CBM), for n groups of delayed neutrons is developed. The accompanying characteristic equation is a polynomial form of the Inhour equation with the same coefficients of the CBM- kinetics model. Those coefficients depend on Universal abc- values which are dependent on the type of the fuel fueling a nuclear reactor. Furthermore, such coefficients are linearly dependent on the inserted reactivity. In this paper, the Universal abc- values have been presented symbolically, for the first time, as well as with their numerical values for U-235 fueled reactors for one, two, three, and six groups of delayed neutrons. Simulation studies for constant and variable reactivity insertions are made for the CBM kinetics model, and a comparison of results, with numerical solutions of classical kinetics models for one, two, three, and six groups of delayed neutrons are presented. The results show good agreements, especially for single step insertion of reactivity, with the advantage of the CBM- solution of not encountering the stiffness problem accompanying the numerical solutions of the classical kinetics model. (author)

Quantum versus classical statistical dynamics of an ultracold Bose gas

International Nuclear Information System (INIS)

Berges, Juergen; Gasenzer, Thomas

2007-01-01

We investigate the conditions under which quantum fluctuations are relevant for the quantitative interpretation of experiments with ultracold Bose gases. This requires to go beyond the description in terms of the Gross-Pitaevskii and Hartree-Fock-Bogoliubov mean-field theories, which can be obtained as classical (statistical) field-theory approximations of the quantum many-body problem. We employ functional-integral techniques based on the two-particle irreducible (2PI) effective action. The role of quantum fluctuations is studied within the nonperturbative 2PI 1/N expansion to next-to-leading order. At this accuracy level memory integrals enter the dynamic equations, which differ for quantum and classical statistical descriptions. This can be used to obtain a classicality condition for the many-body dynamics. We exemplify this condition by studying the nonequilibrium evolution of a one-dimensional Bose gas of sodium atoms, and discuss some distinctive properties of quantum versus classical statistical dynamics

Classical and quantum thermal physics

CERN Document Server

Prasad, R

2016-01-01

Covering essential areas of thermal physics, this book includes kinetic theory, classical thermodynamics, and quantum thermodynamics. The text begins by explaining fundamental concepts of the kinetic theory of gases, viscosity, conductivity, diffusion, and the laws of thermodynamics and their applications. It then goes on to discuss applications of thermodynamics to problems of physics and engineering. These applications are explained with the help of P-V and P-S-H diagrams where necessary and are followed by a large number of solved examples and unsolved exercises. The book includes a dedicated chapter on the applications of thermodynamics to chemical reactions. Each application is explained by taking the example of an appropriate chemical reaction, where all technical terms are explained and complete mathematical derivations are worked out in steps starting from the first principle.

A uniform semi-classical approach to the Coulomb fission problem

International Nuclear Information System (INIS)

Levit, S.; Smilansky, U.

1978-01-01

A semi-classical theory based on the path integral formalism is applied to the description of Coulomb fission. Complex classical trajectories are used to compute the classically forbidden transitions from the target's ground state to fission. In a simple model the energy spectrum and angular distributions of the fragments are calculated for the Coulomb fission in the Xe + U collision. Theoretical predictions are made which may be checked experimentally. (author)

Classical behaviour of macroscopic bodies and quantum measurements

International Nuclear Information System (INIS)

Ghirardi, G.; Rimini, A.; Weber, T.

1986-01-01

This report describes a recent attempt of giving a consistent and unified description of microscopic and macroscopic phenomena. The model presented in this paper exhibits the nice features of leaving unaltered the quantum description of microsystems and of accounting for the classical behaviour of the macroscopic objects when their dynamical evolution is consistently deduced from the dynamics of their elementary constituents

Space-time reactor kinetics for heterogeneous reactor structure

Energy Technology Data Exchange (ETDEWEB)

Raisic, N [Boris Kidric Institute of nuclear sciences Vinca, Belgrade (Yugoslavia)

1969-11-15

An attempt is made to formulate time dependent diffusion equation based on Feinberg-Galanin theory in the from analogue to the classical reactor kinetic equation. Parameters of these equations could be calculated using the existing codes for static reactor calculation based on the heterogeneous reactor theory. The obtained kinetic equation could be analogues in form to the nodal kinetic equation. Space-time distribution of neutron flux in the reactor can be obtained by solving these equations using standard methods.

A Wigner quasi-distribution function for charged particles in classical electromagnetic fields

International Nuclear Information System (INIS)

Levanda, M.; Fleurov, V.

2001-01-01

A gauge-invariant Wigner quasi-distribution function for charged particles in classical electromagnetic fields is derived in a rigorous way. Its relation to the axial gauge is discussed, as well as the relation between the kinetic and canonical momenta in the Wigner representation. Gauge-invariant quantum analogs of Hamilton-Jacobi and Boltzmann kinetic equations are formulated for arbitrary classical electromagnetic fields in terms of the 'slashed' derivatives and momenta, introduced for this purpose. The kinetic meaning of these slashed quantities is discussed. We introduce gauge-invariant conditional moments and use them to derive a kinetic momentum continuity equation. This equation provides us with a hydrodynamic representation for quantum transport processes and a definition of the 'collision force'. The hydrodynamic equation is applied for the rotation part of the electron motion. The theory is illustrated by its application in three examples: Wigner quasi-distribution function and equations for an electron in a magnetic field and harmonic potential; Wigner quasi-distribution function for a charged particle in periodic systems using the kq representation; two Wigner quasi-distribution functions for heavy-mass polaron in an electric field

Logical reformulation of quantum mechanics. III. Classical limit and irreversibility

International Nuclear Information System (INIS)

Omnes, R.

1988-01-01

This paper deals with two questions: (1) It contains a proof of the fact that consistent quantum representations of logic tend to the classical representation of logic when Planck's constant tends to zero. This result is obtained by using the microlocal analysis of partial differential equations and the Weyl calculus, which turn out to be the proper mathematical framework for this type of problems. (2) The analysis of the limitations of this proof turn out to be of physical significance, in particular when one considers quantum systems having for their classical version a Kolmogorov K-system. These limitations are used to show the existence of a best classical description for such a system leading to an objective definition of entropy. It is shown that in such a description the approach to equilibrium is strictly reduced to a Markov process

Classical and quantum dynamics of a kicked relativistic particle in a box

Science.gov (United States)

Yusupov, J. R.; Otajanov, D. M.; Eshniyazov, V. E.; Matrasulov, D. U.

2018-03-01

We study classical and quantum dynamics of a kicked relativistic particle confined in a one dimensional box. It is found that in classical case for chaotic motion the average kinetic energy grows in time, while for mixed regime the growth is suppressed. However, in case of regular motion energy fluctuates around certain value. Quantum dynamics is treated by solving the time-dependent Dirac equation with delta-kicking potential, whose exact solution is obtained for single kicking period. In quantum case, depending on the values of the kicking parameters, the average kinetic energy can be quasi periodic, or fluctuating around some value. Particle transport is studied by considering spatio-temporal evolution of the Gaussian wave packet and by analyzing the trembling motion.

Emergence of quantum mechanics from classical statistics

International Nuclear Information System (INIS)

Wetterich, C

2009-01-01

The conceptual setting of quantum mechanics is subject to an ongoing debate from its beginnings until now. The consequences of the apparent differences between quantum statistics and classical statistics range from the philosophical interpretations to practical issues as quantum computing. In this note we demonstrate how quantum mechanics can emerge from classical statistical systems. We discuss conditions and circumstances for this to happen. Quantum systems describe isolated subsystems of classical statistical systems with infinitely many states. While infinitely many classical observables 'measure' properties of the subsystem and its environment, the state of the subsystem can be characterized by the expectation values of only a few probabilistic observables. They define a density matrix, and all the usual laws of quantum mechanics follow. No concepts beyond classical statistics are needed for quantum physics - the differences are only apparent and result from the particularities of those classical statistical systems which admit a quantum mechanical description. In particular, we show how the non-commuting properties of quantum operators are associated to the use of conditional probabilities within the classical system, and how a unitary time evolution reflects the isolation of the subsystem.

From classical to quantum chaos

International Nuclear Information System (INIS)

Zaslavsky, G.M.

1991-01-01

The analysis is done for the quantum properties of systems that possess dynamical chaos in classical limit. Two main topics are considered: (i) the problem of quantum macroscopical description of the system and the Ehrenfest-Einstein problem of the validity of the classical approximation; and (ii) the problem of levels spacing distribution for the nonintegrable case. For the first topic the method of projecting on the coherent states base is considered and the ln 1/(h/2π) time for the quasiclassical approximation breaking is described. For the second topic the discussion of GOE and non-GOE distributions is done and estimations and simulations for the non-GOE case are reviewed. (author). 44 refs, 2 figs

Classical Michaelis-Menten and system theory approach to modeling metabolite formation kinetics.

Science.gov (United States)

Popović, Jovan

2004-01-01

When single doses of drug are administered and kinetics are linear, techniques, which are based on the compartment approach and the linear system theory approach, in modeling the formation of the metabolite from the parent drug are proposed. Unlike the purpose-specific compartment approach, the methodical, conceptual and computational uniformity in modeling various linear biomedical systems is the dominant characteristic of the linear system approach technology. Saturation of the metabolic reaction results in nonlinear kinetics according to the Michaelis-Menten equation. The two compartment open model with Michaelis-Menten elimination kinetics is theorethicaly basic when single doses of drug are administered. To simulate data or to fit real data using this model, one must resort to numerical integration. A biomathematical model for multiple dosage regimen calculations of nonlinear metabolic systems in steady-state and a working example with phenytoin are presented. High correlation between phenytoin steady-state serum levels calculated from individual Km and Vmax values in the 15 adult epileptic outpatients and the observed levels at the third adjustment of phenytoin daily dose (r=0.961, p<0.01) were found.

Quantum formalism for classical statistics

Science.gov (United States)

Wetterich, C.

2018-06-01

In static classical statistical systems the problem of information transport from a boundary to the bulk finds a simple description in terms of wave functions or density matrices. While the transfer matrix formalism is a type of Heisenberg picture for this problem, we develop here the associated Schrödinger picture that keeps track of the local probabilistic information. The transport of the probabilistic information between neighboring hypersurfaces obeys a linear evolution equation, and therefore the superposition principle for the possible solutions. Operators are associated to local observables, with rules for the computation of expectation values similar to quantum mechanics. We discuss how non-commutativity naturally arises in this setting. Also other features characteristic of quantum mechanics, such as complex structure, change of basis or symmetry transformations, can be found in classical statistics once formulated in terms of wave functions or density matrices. We construct for every quantum system an equivalent classical statistical system, such that time in quantum mechanics corresponds to the location of hypersurfaces in the classical probabilistic ensemble. For suitable choices of local observables in the classical statistical system one can, in principle, compute all expectation values and correlations of observables in the quantum system from the local probabilistic information of the associated classical statistical system. Realizing a static memory material as a quantum simulator for a given quantum system is not a matter of principle, but rather of practical simplicity.

Kinetic description of intense nonneutral beam propagation through a periodic solenoidal focusing field based on the nonlinear Vlasov-Maxwell equations

International Nuclear Information System (INIS)

Davidson, R.C.; Chen, C.

1997-08-01

A kinetic description of intense nonneutral beam propagation through a periodic solenoidal focusing field B sol (rvec x) is developed. The analysis is carried out for a thin beam with characteristic beam radius r b much-lt S, and directed axial momentum γ b mβ b c (in the z-direction) large compared with the transverse momentum and axial momentum spread of the beam particles. Making use of the nonlinear Vlasov-Maxwell equations for general distribution function f b (rvec x,rvec p,t) and self-consistent electrostatic field consistent with the thin-beam approximation, the kinetic model is used to investigate detailed beam equilibrium properties for a variety of distribution functions. Examples are presented both for the case of a uniform solenoidal focusing field B z (z) = B 0 = const. and for the case of a periodic solenoidal focusing field B z (z + S) = B z (z). The nonlinear Vlasov-Maxwell equations are simplified in the thin-beam approximation, and an alternative Hamiltonian formulation is developed that is particularly well-suited to intense beam propagation in periodic focusing systems. Based on the present analysis, the Vlasov-Maxwell description of intense nonneutral beam propagation through a periodic solenoidal focusing field rvec B sol (rvec x) is found to be remarkably tractable and rich in physics content. The Vlasov-Maxwell formalism developed here can be extended in a straightforward manner to investigate detailed stability behavior for perturbations about specific choices of beam equilibria

Classical noise, quantum noise and secure communication

International Nuclear Information System (INIS)

Tannous, C; Langlois, J

2016-01-01

Secure communication based on message encryption might be performed by combining the message with controlled noise (called pseudo-noise) as performed in spread-spectrum communication used presently in Wi-Fi and smartphone telecommunication systems. Quantum communication based on entanglement is another route for securing communications as demonstrated by several important experiments described in this work. The central role played by the photon in unifying the description of classical and quantum noise as major ingredients of secure communication systems is highlighted and described on the basis of the classical and quantum fluctuation dissipation theorems. (review)

Conformal description of spinning particles

International Nuclear Information System (INIS)

Todorov, I.T.

1986-01-01

This book is an introduction to the application of the conformal group to quantum field theory of particles with spin. After an introduction to the twistor representations of the conformal group of a conformally flat space-time and twistor flag manifolds with Su(2,2) orbits the classical phase space of conformal spinning particles is described. Thereafter the twistor description of classical zero mass fields is considered together with the quantization. (HSI)

Emerging Connections: Quantum & Classical Optics Incubator Program Book

Energy Technology Data Exchange (ETDEWEB)

Lesky, Marcia [Optical Society of America, Washington, DC (United States)

2016-11-06

The Emerging Connections: Quantum & Classical Optics Incubator was a scientific meeting held in Washington, DC on 6-8 November 2016. This Incubator provided unique and focused experiences and valuable opportunities to discuss advances, challenges and opportunities regarding this important area of research. Quantum optics and classical optics have coexisted for nearly a century as two distinct, but consistent descriptions of light in their respective domains. Recently, a number of detailed examinations of the structure of classical light beams have revealed that effects widely thought to be solely quantum in origin also have a place in classical optics. These new quantum-classical connections are informing classical optics in meaningful ways specifically by expanding understanding of optical coherence. Simultaneously, relationships discovered with classical light beams now also serve as a vehicle to illuminate concepts that no longer solely belong to the quantum realm. Interference, polarization, coherence, complementarity and entanglement are a partial list of elementary notions that now appear to belong to both quantum and classical optics. The goal of this meeting was to bring emerging quantum-classical links into wider view and to indicate directions in which forthcoming and future work would promote discussion and lead to a more unified understanding of optics.

Kinetic Theory of the Inner Magnetospheric Plasma

CERN Document Server

Khazanov, George V

2011-01-01

This book provides a broad introduction to the kinetic theory of space plasma physics with the major focus on the inner magnetospheric plasma. It is designed to provide a comprehensive description of the different kinds of transport equations for both plasma particles and waves with an emphasis on the applicability and limitations of each set of equations. The major topics are: Kinetic Theory of Superthermal Electrons, Kinetic Foundation of the Hydrodynamic Description of Space Plasmas (including wave-particle interaction processes), and Kinetic Theory of the Terrestrial Ring Current. Distinguishable features of this book are the analytical solutions of simplified transport equations. Approximate analytic solutions of transport phenomena are very useful because they help us gain physical insight into how the system responds to varying sources of mass, momentum and energy and also to various external boundary conditions. They also provide us a convenient method to test the validity of complicated numerical mod...

Isothermal crystallization kinetics in simulated high-level nuclear waste glass

International Nuclear Information System (INIS)

Vienna, J.D.; Hrma, P.; Smith, D.E.

1997-01-01

Crystallization kinetics of a simulated high-level waste (HLW) glass were measured and modelled. Kinetics of acmite growth in the standard HW39-4 glass were measured using the isothermal method. A time-temperature-transformation (TTT) diagram was generated from these data. Classical glass-crystal transformation kinetic models were empirically applied to the crystallization data. These models adequately describe the kinetics of crystallization in complex HLW glasses (i.e., RSquared = 0.908). An approach to measurement, fitting, and use of TTT diagrams for prediction of crystallinity in a HLW glass canister is proposed

The Ups and Downs of Classical and Quantum Formulations of Magnetic Resonance

DEFF Research Database (Denmark)

Hanson, Lars G.

2015-01-01

in the connection between the seemingly very different classical and quantum descriptions. Such understanding is needed by students, authors, and lecturers, in particular. With limited complexity, the text introduces probabilistic classical and quantum mechanics with emphasis on similarities and differences......), which gives insight into the resonance phenomenon itself as well as spectral features resulting from intramolecular J-coupling of atomic nuclei. It is discussed how classical and quantum mechanics give rise to similar expectations for basic NMR and why a classical understanding is central....

Lagrangian formulation of classical BMT-theory

International Nuclear Information System (INIS)

Pupasov-Maksimov, Andrey; Deriglazov, Alexei; Guzman, Walberto

2013-01-01

Full text: The most popular classical theory of electron has been formulated by Bargmann, Michel and Telegdi (BMT) in 1959. The BMT equations give classical relativistic description of a charged particle with spin and anomalous magnetic momentum moving in homogeneous electro-magnetic field. This allows to study spin dynamics of polarized beams in uniform fields. In particular, first experimental measurements of muon anomalous magnetic momentum were done using changing of helicity predicted by BMT equations. Surprisingly enough, a systematic formulation and the analysis of the BMT theory are absent in literature. In the present work we particularly fill this gap by deducing Lagrangian formulation (variational problem) for BMT equations. Various equivalent forms of Lagrangian will be discussed in details. An advantage of the obtained classical model is that the Lagrangian action describes a relativistic spinning particle without Grassmann variables, for both free and interacting cases. This implies also the possibility of canonical quantization. In the interacting case, an arbitrary electromagnetic background may be considered, which generalizes the BMT theory formulated to the case of homogeneous fields. The classical model has two local symmetries, which gives an interesting example of constrained classical dynamics. It is surprising, that the case of vanishing anomalous part of the magnetic momentum is naturally highlighted in our construction. (author)

A remark on the classical mechanics of colored particles

International Nuclear Information System (INIS)

Arodz, H.

1982-04-01

Examples of the motion of a wave packet in external SU(2) gauge fields are analyzed. It is found that the classical mechanics of colored particles gives a wrong qualitative description of this motion. (Auth.)

Teaching Statistics Using Classic Psychology Research: An Activities-Based Approach

Science.gov (United States)

Holmes, Karen Y.; Dodd, Brett A.

2012-01-01

In this article, we discuss a collection of active learning activities derived from classic psychology studies that illustrate the appropriate use of descriptive and inferential statistics. (Contains 2 tables.)

Reason of method of density functional in classical and quantum statistical mechanisms

International Nuclear Information System (INIS)

Dinariev, O.Yu.

2000-01-01

Interaction between phenomenological description of a multi-component mixture on the basis of entropy functional with members, square in terms of component density gradients and temperature, on the one hand, and description in the framework of classical and quantum statistical mechanics, on the other hand, was investigated. Explicit expressions for the entropy functional in the classical and quantum theory were derived. Then a square approximation for the case of minor disturbances of uniform state was calculated. In the approximation the addends square in reference to the gradient were singlet out. It permits calculation of the relevant phenomenological coefficients from the leading principles [ru

Exact classical scaling formalism for nonreactive processes

International Nuclear Information System (INIS)

DePristo, A.E.

1981-01-01

A general nonreactive collision system is considered with internal molecular variables (p, r) and/or (I, theta) of arbitrary dimensions and relative translational variables (P, R) of three or less dimensions. We derive an exact classical scaling formalism which relates the collisional change in any function of molecular variables directly to the initial values of these variables. The collision dynamics is then described by an explicit function of the initial point in the internal molecular phase space, for a fixed point in the relative translational phase space. In other words, the systematic variation of the internal molecular properties (e.g., actions and average internal kinetic energies) is given as a function of the initial internal action-angle variables. A simple three term approximation to the exact formalism is derived, the natural variables of which are the internal action I and internal linear momenta p. For the final average internal kinetic energies T, the result is T-T/sup( 0 ) = α+βp/sup( 0 )+γI/sup( 0 ), where the superscripted ''0'' indicates the initial value. The parameters α, β, and γ in this scaling theory are directly related to the moments of the change in average internal kinetic energy. Utilizing a very limited number of input moments generated from classical trajectory calculations, the scaling can be used to predict the entire distribution of final internal variables as a function of initial internal actions and linear momenta. Initial examples for atom--collinear harmonic oscillator collision systems are presented in detail, with the scaling predictions (e.g., moments and quasiclassical histogram transition probabilities) being generally very good to excellent quantitatively

CHEMICAL REACTIONS ON ADSORBING SURFACE: KINETIC LEVEL OF DESCRIPTION

Directory of Open Access Journals (Sweden)

P.P.Kostrobii

2003-01-01

Full Text Available Based on the effective Hubbard model we suggest a statistical description of reaction-diffusion processes for bimolecular chemical reactions of gas particles adsorbed on the metallic surface. The system of transport equations for description of particles diffusion as well as reactions is obtained. We carry out the analysis of the contributions of all physical processes to the formation of diffusion coefficients and chemical reactions constants.

Concept of APDL, the atomic process description language

International Nuclear Information System (INIS)

Sasaki, Akira

2004-01-01

The concept of APDL, the Atomic Process Description Language, which provides simple and complete description of atomic model is presented. The syntax to describe electron orbital and configuration is defined for the use in the atomic structure, kinetics and spectral synthesis simulation codes. (author)

Global aspects of classical integrable systems

CERN Document Server

Cushman, Richard H

2015-01-01

This book gives a uniquely complete description of the geometry of the energy momentum mapping of five classical integrable systems: the 2-dimensional harmonic oscillator, the geodesic flow on the 3-sphere, the Euler top, the spherical pendulum and the Lagrange top. It presents for the first time in book form a general theory of symmetry reduction which allows one to reduce the symmetries in the spherical pendulum and the Lagrange top. Also the monodromy obstruction to the existence of global action angle coordinates is calculated for the spherical pendulum and the Lagrange top. The book addresses professional mathematicians and graduate students and can be used as a textbook on advanced classical mechanics or global analysis.

Photosynthetic Energy Transfer at the Quantum/Classical Border.

Science.gov (United States)

Keren, Nir; Paltiel, Yossi

2018-06-01

Quantum mechanics diverges from the classical description of our world when very small scales or very fast processes are involved. Unlike classical mechanics, quantum effects cannot be easily related to our everyday experience and are often counterintuitive to us. Nevertheless, the dimensions and time scales of the photosynthetic energy transfer processes puts them close to the quantum/classical border, bringing them into the range of measurable quantum effects. Here we review recent advances in the field and suggest that photosynthetic processes can take advantage of the sensitivity of quantum effects to the environmental 'noise' as means of tuning exciton energy transfer efficiency. If true, this design principle could be a base for 'nontrivial' coherent wave property nano-devices. Copyright © 2018 Elsevier Ltd. All rights reserved.

Quantum and classical ripples in graphene

Science.gov (United States)

Hašík, Juraj; Tosatti, Erio; MartoÅák, Roman

2018-04-01

Thermal ripples of graphene are well understood at room temperature, but their quantum counterparts at low temperatures are in need of a realistic quantitative description. Here we present atomistic path-integral Monte Carlo simulations of freestanding graphene, which show upon cooling a striking classical-quantum evolution of height and angular fluctuations. The crossover takes place at ever-decreasing temperatures for ever-increasing wavelengths so that a completely quantum regime is never attained. Zero-temperature quantum graphene is flatter and smoother than classical graphene at large scales yet rougher at short scales. The angular fluctuation distribution of the normals can be quantitatively described by coexistence of two Gaussians, one classical strongly T -dependent and one quantum about 2° wide, of zero-point character. The quantum evolution of ripple-induced height and angular spread should be observable in electron diffraction in graphene and other two-dimensional materials, such as MoS2, bilayer graphene, boron nitride, etc.

How far can radiation from atoms be represented by classical models

International Nuclear Information System (INIS)

Haar, D. Ter; Wergeland, H.

1978-01-01

In recent years some phenomena currently assumed to be essentially quantal have found an accurate description in classical terms. An example is Lamb's semiclassical theory of the laser. Consequently many physicists are discussing in how far a full quantum mechanical treatment is necessary. A good many of the formulae for the radiation from atoms can certainly be obtained by classical methods. But these methods fail already at the question of the line profiles. Even though the damping is a simple mechanism - classically speaking. It seems inevitible that the semi-classical formulae must be limited to those phenomena which essentially only involve the averages of photon numbers. (JIW)

Parametric description of the quantum measurement process

Science.gov (United States)

Liuzzo-Scorpo, P.; Cuccoli, A.; Verrucchi, P.

2015-08-01

We present a description of the measurement process based on the parametric representation with environmental coherent states. This representation is specifically tailored for studying quantum systems whose environment needs being considered through the quantum-to-classical crossover. Focusing upon projective measures, and exploiting the connection between large-N quantum theories and the classical limit of related ones, we manage to push our description beyond the pre-measurement step. This allows us to show that the outcome production follows from a global-symmetry breaking, entailing the observed system's state reduction, and that the statistical nature of the process is brought about, together with the Born's rule, by the macroscopic character of the measuring apparatus.

Non-equilibrium thermodynamics and physical kinetics

CERN Document Server

Bikkin, Halid

2014-01-01

This graduate textbook covers contemporary directions of non-equilibrium statistical mechanics as well as classical methods of kinetics. With one of the main propositions being to avoid terms such as "obviously" and "it is easy to show", this treatise is an easy-to-read introduction into this traditional, yet vibrant field.

Macroscopic and microscopic description of HE-HI collisions; classical equations of motion calculations

International Nuclear Information System (INIS)

Bodmer, A.R.

1978-01-01

The study of high energy heavy ion reactions includes the three principle a priori approaches used for central collisions, namely, hydrodynamics, cascade--Boltzman equation, and the classical equations of motion. While no clearly justified central or near central collisions are found, the classical equations of motion are used to illustrate some general features of these reactions. It is expected that the hot nuclear matter produced in such collisions is a dense, viscous, and thermally conductive fluid with important nonequilibrium and nonclassical features, rapidity, distribution, noncentral collisions, potential dependent effects for a given two-body scattering, and c.m. cross sections for a central collision with given parameters are among the properties considered. 12 references

A discontinuous Galerkin method on kinetic flocking models

OpenAIRE

Tan, Changhui

2014-01-01

We study kinetic representations of flocking models. They arise from agent-based models for self-organized dynamics, such as Cucker-Smale and Motsch-Tadmor models. We prove flocking behavior for the kinetic descriptions of flocking systems, which indicates a concentration in velocity variable in infinite time. We propose a discontinuous Galerkin method to treat the asymptotic $\\delta$-singularity, and construct high order positive preserving scheme to solve kinetic flocking systems.

Computational physics simulation of classical and quantum systems

CERN Document Server

Scherer, Philipp O J

2013-01-01

This textbook presents basic and advanced computational physics in a very didactic style. It contains very-well-presented and simple mathematical descriptions of many of the most important algorithms used in computational physics. Many clear mathematical descriptions of important techniques in computational physics are given. The first part of the book discusses the basic numerical methods. A large number of exercises and computer experiments allows to study the properties of these methods. The second part concentrates on simulation of classical and quantum systems. It uses a rather general concept for the equation of motion which can be applied to ordinary and partial differential equations. Several classes of integration methods are discussed including not only the standard Euler and Runge Kutta method but also multistep methods and the class of Verlet methods which is introduced by studying the motion in Liouville space. Besides the classical methods, inverse interpolation is discussed, together with the p...

Quantum Description of Optical Devices Used in Interferometry

Directory of Open Access Journals (Sweden)

P. Kucera

2007-09-01

Full Text Available A quantum-mechanical description of the phase shifters, retarders, mirrors and beam splitters is given in the paper. The description is then applied on two types of states. On a coherent state, a classical-like state, and on a number state, hence the strict quantum state. The quantum description of a beam splitter can be found in the literature. However the description does not treat with the polarization concept. The paper is aimed to introduce quantum description of an arbitrary oriented retarder and give a description of a beam splitter which treats with the polarization.

Generation of longitudinal current by a transverse electromagnetic field in classical and quantum plasmas

Energy Technology Data Exchange (ETDEWEB)

Latyshev, A. V., E-mail: avlatyshev@mail.ru; Yushkanov, A. A. [Moscow State Regional University (Russian Federation)

2015-09-15

A distribution function for collisionless plasma is derived from the Vlasov kinetic equation in the quadratic approximation with respect to the electromagnetic field. Formulas for calculation of the electric current at an arbitrary temperature (arbitrary degree of degeneration of the electron gas) are deduced. The case of small wavenumbers is considered. It is shown that nonlinearity leads to the generation of an electric current directed along the wave vector. This longitudinal current is orthogonal to the classical transverse current, well known in the linear theory. A distribution function for collisionless quantum plasma is derived from the kinetic equation with the Wigner integral in the quadratic approximation with respect to the vector potential. Formulas for calculation of the electric current at an arbitrary temperature are deduced. The case of small wavenumbers is considered. It is shown that, at small values of the wavenumber, the value of the longitudinal current for quantum plasma coincides with that for classical plasma. The dimensionless currents in quantum and classical plasmas are compared graphically.

Extending Newton's law from nonlocal-in-time kinetic energy

International Nuclear Information System (INIS)

Suykens, J.A.K.

2009-01-01

We study a new equation of motion derived from a context of classical Newtonian mechanics by replacing the kinetic energy with a form of nonlocal-in-time kinetic energy. It leads to a hypothetical extension of Newton's second law of motion. In a first stage the obtainable solution form is studied by considering an unknown value for the nonlocality time extent. This is done in relation to higher-order Euler-Lagrange equations and a Hamiltonian framework. In a second stage the free particle case and harmonic oscillator case are studied and compared with quantum mechanical results. For a free particle it is shown that the solution form is a superposition of the classical straight line motion and a Fourier series. We discuss the link with quanta interpretations made in Pais-Uhlenbeck oscillators. The discrete nature emerges from the continuous time setting through application of the least action principle. The harmonic oscillator case leads to energy levels that approximately correspond to the quantum harmonic oscillator levels. The solution to the extended Newton equation also admits a quantization of the nonlocality time extent, which is determined by the classical oscillator frequency. The extended equation suggests a new possible way for understanding the relationship between classical and quantum mechanics

The evolution of Greek fauna since classical times

Directory of Open Access Journals (Sweden)

Konstantinos Sidiropoulos

2017-02-01

Full Text Available This article concerns the Greek fauna of classical and late antiquity and changes up to the present day. The main sources for the fauna of antiquity are historical, geographical and zoological texts, as well as descriptions from travellers who visited Greece. The study of the texts of classical and late antiquity was based on the following classical authors: Xenophon, Aristotle, Aristophanes Byzantios, Pliny, Dio Chrysostom, Plutarch, Pausanias and Aelian. Some species that were present in the Greek fauna of classical and late antiquity, such as the lion and the leopard, are today extinct in Greece, whereas some other species that are now common, such as the cat, the chicken and the peacock, were introduced about that time or a little earlier from other regions. Some other species that are also common today, such as the wild rabbit and the pheasant, were unknown at that time, as they appeared later in Greece from other areas.

The use of Wigner transformation for the description of the classical aspects of the quantum systems

International Nuclear Information System (INIS)

Baran, V.

1990-01-01

The mutual relation between the classical phase space and the Hilbert space of operators are explicitly written down.In particular, the Wigner transformation maps the Hilbert space onto the classical space of functions defined on two dimensional manifold. (Author)

Modern quantum kinetic theory and spectral line shapes

International Nuclear Information System (INIS)

Monchick, L.

1991-01-01

The modern quantum kinetic theory of spectral line shapes is outlined and a typical calculation of a Raman scattered line shape described. The distinguishing feature of this calculation is that it was completely ab initio and therefore constituted a test of modern quantum kinetic theory, the state of the art in computing molecular-scattering cross sections, and novel methods of solving kinetic equations. The computation employed a large assortment of tools: group theory, finite-element methods, classic methods of solving coupled sets of ordinary differential equations, graph methods of combining angular momenta, and matrix methods of solving integral equations. Agreement with experimental results was excellent. 13 refs

Freeform surface descriptions. Part I: Mathematical representations

Science.gov (United States)

Broemel, Anika; Lippmann, Uwe; Gross, Herbert

2017-10-01

Optical systems can benefit strongly from freeform surfaces; however, the choice of the right surface representation is not trivial and many aspects must be considered. In this work, we discuss the general approach classical globally defined representations, as well as the basic mathematics and properties of the most commonly used descriptions and present a new description developed by us for describing freeform surfaces.

The classical parafermion algebra, its generalization and its quantization

International Nuclear Information System (INIS)

Bardakci, K.

1992-01-01

The Poisson bracket algebra of the classical parafermions derived earlier from the lagrangian description of conformal coset models is generalized. It is also shown how to quantize models with commutative monodromy matrices, and progress is made in quantizing the non-commutative case. (orig.)

Principles of classical statistical mechanics: A perspective from the notion of complementarity

International Nuclear Information System (INIS)

Velazquez Abad, Luisberis

2012-01-01

Quantum mechanics and classical statistical mechanics are two physical theories that share several analogies in their mathematical apparatus and physical foundations. In particular, classical statistical mechanics is hallmarked by the complementarity between two descriptions that are unified in thermodynamics: (i) the parametrization of the system macrostate in terms of mechanical macroscopic observablesI=(I i ), and (ii) the dynamical description that explains the evolution of a system towards the thermodynamic equilibrium. As expected, such a complementarity is related to the uncertainty relations of classical statistical mechanics ΔI i Δη i ≥k. Here, k is the Boltzmann constant, η i =∂S(I|θ)/∂I i are the restituting generalized forces derived from the entropy S(I|θ) of a closed system, which is found in an equilibrium situation driven by certain control parameters θ=(θ α ). These arguments constitute the central ingredients of a reformulation of classical statistical mechanics from the notion of complementarity. In this new framework, Einstein postulate of classical fluctuation theory dp(I|θ)∼exp[S(I|θ)/k]dI appears as the correspondence principle between classical statistical mechanics and thermodynamics in the limit k→0, while the existence of uncertainty relations can be associated with the non-commuting character of certain operators. - Highlights: ► There exists a direct analogy between quantum and classical statistical mechanics. ► Statistical form of Le Chatellier principle leads to the uncertainty principle. ► Einstein postulate is simply the correspondence principle. ► Complementary quantities are associated with non-commuting operators.

Quantum State Description Complexity (Invited Talk)

OpenAIRE

Vazirani, Umesh V.

2011-01-01

Quantum states generally require exponential sized classical descriptions, but the long conjectured area law provides hope that a large class of natural quantum states can be described succinctly. Recent progress in formally proving the area law is described.

Empiricism or self-consistent theory in chemical kinetics?

International Nuclear Information System (INIS)

Gutman, E.M.

2007-01-01

To give theoretical background for mechanochemical kinetics, we need first of all to find a possibility to predict the kinetic parameters for real chemical processes by determining rate constants and reaction orders without developing strictly specialized and, to a great extent, artificial models, i.e. to derive the kinetic law of mass action from 'first principles'. However, the kinetic law of mass action has had only an empirical basis from the first experiments of Gulberg and Waage until now, in contrast to the classical law of mass action for chemical equilibrium rigorously derived in chemical thermodynamics from equilibrium condition. Nevertheless, in this paper, an attempt to derive the kinetic law of mass action from 'first principles' is made in macroscopic formulation. It has turned out to be possible owing to the methods of thermodynamics of irreversible processes that were unknown in Gulberg and Waage's time

An Explicit Finite Difference scheme for numerical solution of fractional neutron point kinetic equation

International Nuclear Information System (INIS)

Saha Ray, S.; Patra, A.

2012-01-01

Highlights: ► In this paper fractional neutron point kinetic equation has been analyzed. ► The numerical solution for fractional neutron point kinetic equation is obtained. ► Explicit Finite Difference Method has been applied. ► Supercritical reactivity, critical reactivity and subcritical reactivity analyzed. ► Comparison between fractional and classical neutron density is presented. - Abstract: In the present article, a numerical procedure to efficiently calculate the solution for fractional point kinetics equation in nuclear reactor dynamics is investigated. The Explicit Finite Difference Method is applied to solve the fractional neutron point kinetic equation with the Grunwald–Letnikov (GL) definition (). Fractional Neutron Point Kinetic Model has been analyzed for the dynamic behavior of the neutron motion in which the relaxation time associated with a variation in the neutron flux involves a fractional order acting as exponent of the relaxation time, to obtain the best operation of a nuclear reactor dynamics. Results for neutron dynamic behavior for subcritical reactivity, supercritical reactivity and critical reactivity and also for different values of fractional order have been presented and compared with the classical neutron point kinetic (NPK) equation as well as the results obtained by the learned researchers .

Horizons of description: Black holes and complementarity

Science.gov (United States)

Bokulich, Peter Joshua Martin

Niels Bohr famously argued that a consistent understanding of quantum mechanics requires a new epistemic framework, which he named complementarity . This position asserts that even in the context of quantum theory, classical concepts must be used to understand and communicate measurement results. The apparent conflict between certain classical descriptions is avoided by recognizing that their application now crucially depends on the measurement context. Recently it has been argued that a new form of complementarity can provide a solution to the so-called information loss paradox. Stephen Hawking argues that the evolution of black holes cannot be described by standard unitary quantum evolution, because such evolution always preserves information, while the evaporation of a black hole will imply that any information that fell into it is irrevocably lost---hence a "paradox." Some researchers in quantum gravity have argued that this paradox can be resolved if one interprets certain seemingly incompatible descriptions of events around black holes as instead being complementary. In this dissertation I assess the extent to which this black hole complementarity can be undergirded by Bohr's account of the limitations of classical concepts. I begin by offering an interpretation of Bohr's complementarity and the role that it plays in his philosophy of quantum theory. After clarifying the nature of classical concepts, I offer an account of the limitations these concepts face, and argue that Bohr's appeal to disturbance is best understood as referring to these conceptual limits. Following preparatory chapters on issues in quantum field theory and black hole mechanics, I offer an analysis of the information loss paradox and various responses to it. I consider the three most prominent accounts of black hole complementarity and argue that they fail to offer sufficient justification for the proposed incompatibility between descriptions. The lesson that emerges from this

On the kinetic energy density

International Nuclear Information System (INIS)

Lombard, R.J.; Mas, D.; Moszkowski, S.A.

1991-01-01

We discuss two expressions for the density of kinetic energy which differ by an integration by parts. Using the Wigner transform we shown that the arithmetic mean of these two terms is closely analogous to the classical value. Harmonic oscillator wavefunctions are used to illustrate the radial dependence of these expressions. We study the differences they induce through effective mass terms when performing self-consistent calculations. (author)

On the Galilean covariance of classical mechanics

International Nuclear Information System (INIS)

Horzela, A.; Kapuscik, E.; Kempczynski, J.; Joint Inst. for Nuclear Research, Dubna

1991-08-01

A Galilean covariant approach to classical mechanics of a single interacting particle is described. In this scheme constitutive relations defining forces are rejected and acting forces are determined by some fundamental differential equations. It is shown that total energy of the interacting particle transforms under Galilean transformations differently from the kinetic energy. The statement is illustrated on the exactly solvable examples of the harmonic oscillator and the case of constant forces and also, in the suitable version of the perturbation theory, for the anharmonic oscillator. (author)

A nonquasiclassical description of inhomogeneous superconductors

International Nuclear Information System (INIS)

Zaikin, A.D.; Panyukov, S.V.

1988-01-01

Exact microscopic equations are derived that make it possible to describe inhomogeneous superconductors when the quasi-classical approach is not suitable. These equations are simpler than the Gorkov equations. The authors generalize the derived equations for describing the nonequilibrium states of inhomogeneous superconductors. It is demonstrated that the derived equations (including the case of a nonequilibrium quasi particle distribution function) may be written in the form of linear differential equations for the simultaneous wave function μ, ν. The quasi-classical limit of such equations is examined. Effective boundary conditions are derived for the μ, ν functions that allow description of superconductors with a sharp change in parameters within the scope of the quasi-classical approach

Classical mechanics and electromagnetism in accelerator physics

CERN Document Server

Stupakov, Gennady

2018-01-01

This self-contained textbook with exercises discusses a broad range of selected topics from classical mechanics and electromagnetic theory that inform key issues related to modern accelerators. Part I presents fundamentals of the Lagrangian and Hamiltonian formalism for mechanical systems, canonical transformations, action-angle variables, and then linear and nonlinear oscillators. The Hamiltonian for a circular accelerator is used to evaluate the equations of motion, the action, and betatron oscillations in an accelerator. From this base, we explore the impact of field errors and nonlinear resonances. This part ends with the concept of the distribution function and an introduction to the kinetic equation to describe large ensembles of charged particles and to supplement the previous single-particle analysis of beam dynamics. Part II focuses on classical electromagnetism and begins with an analysis of the electromagnetic field from relativistic beams, both in vacuum and in a resistive pipe. Plane electromagne...

Constrained variational calculus for higher order classical field theories

Energy Technology Data Exchange (ETDEWEB)

Campos, Cedric M; De Leon, Manuel; De Diego, David MartIn, E-mail: cedricmc@icmat.e, E-mail: mdeleon@icmat.e, E-mail: david.martin@icmat.e [Instituto de Ciencias Matematicas, CSIC-UAM-UC3M-UCM, Serrano 123, 28006 Madrid (Spain)

2010-11-12

We develop an intrinsic geometrical setting for higher order constrained field theories. As a main tool we use an appropriate generalization of the classical Skinner-Rusk formalism. Some examples of applications are studied, in particular to the geometrical description of optimal control theory for partial differential equations.

Constrained variational calculus for higher order classical field theories

International Nuclear Information System (INIS)

Campos, Cedric M; De Leon, Manuel; De Diego, David MartIn

2010-01-01

We develop an intrinsic geometrical setting for higher order constrained field theories. As a main tool we use an appropriate generalization of the classical Skinner-Rusk formalism. Some examples of applications are studied, in particular to the geometrical description of optimal control theory for partial differential equations.

Quantum-classical correspondence for the inverted oscillator

Science.gov (United States)

Maamache, Mustapha; Ryeol Choi, Jeong

2017-11-01

While quantum-classical correspondence for a system is a very fundamental problem in modern physics, the understanding of its mechanism is often elusive, so the methods used and the results of detailed theoretical analysis have been accompanied by active debate. In this study, the differences and similarities between quantum and classical behavior for an inverted oscillator have been analyzed based on the description of a complete generalized Airy function-type quantum wave solution. The inverted oscillator model plays an important role in several branches of cosmology and particle physics. The quantum wave packet of the system is composed of many sub-packets that are localized at different positions with regular intervals between them. It is shown from illustrations of the probability density that, although the quantum trajectory of the wave propagation is somewhat different from the corresponding classical one, the difference becomes relatively small when the classical excitation is sufficiently high. We have confirmed that a quantum wave packet moving along a positive or negative direction accelerates over time like a classical wave. From these main interpretations and others in the text, we conclude that our theory exquisitely illustrates quantum and classical correspondence for the system, which is a crucial concept in quantum mechanics. Supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NRF-2016R1D1A1A09919503)

Validation of Bayesian analysis of compartmental kinetic models in medical imaging.

Science.gov (United States)

Sitek, Arkadiusz; Li, Quanzheng; El Fakhri, Georges; Alpert, Nathaniel M

2016-10-01

Kinetic compartmental analysis is frequently used to compute physiologically relevant quantitative values from time series of images. In this paper, a new approach based on Bayesian analysis to obtain information about these parameters is presented and validated. The closed-form of the posterior distribution of kinetic parameters is derived with a hierarchical prior to model the standard deviation of normally distributed noise. Markov chain Monte Carlo methods are used for numerical estimation of the posterior distribution. Computer simulations of the kinetics of F18-fluorodeoxyglucose (FDG) are used to demonstrate drawing statistical inferences about kinetic parameters and to validate the theory and implementation. Additionally, point estimates of kinetic parameters and covariance of those estimates are determined using the classical non-linear least squares approach. Posteriors obtained using methods proposed in this work are accurate as no significant deviation from the expected shape of the posterior was found (one-sided P>0.08). It is demonstrated that the results obtained by the standard non-linear least-square methods fail to provide accurate estimation of uncertainty for the same data set (P<0.0001). The results of this work validate new methods for a computer simulations of FDG kinetics. Results show that in situations where the classical approach fails in accurate estimation of uncertainty, Bayesian estimation provides an accurate information about the uncertainties in the parameters. Although a particular example of FDG kinetics was used in the paper, the methods can be extended for different pharmaceuticals and imaging modalities. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Improved point-kinetics model for the BWR control rod drop accident

International Nuclear Information System (INIS)

Neogy, P.; Wakabayashi, T.; Carew, J.F.

1985-01-01

A simple prescription to account for spatial feedback weighting effects in RDA (rod drop accident) point-kinetics analyses has been derived and tested. The point-kinetics feedback model is linear in the core peaking factor, F/sub Q/, and in the core average void fraction and fuel temperature. Comparison with detailed spatial kinetics analyses indicates that the improved point-kinetics model provides an accurate description of the BWR RDA

The transition to chaos conservative classical systems and quantum manifestations

CERN Document Server

Reichl, Linda E

2004-01-01

This book provides a thorough and comprehensive discussion of classical and quantum chaos theory for bounded systems and for scattering processes Specific discussions include • Noether’s theorem, integrability, KAM theory, and a definition of chaotic behavior • Area-preserving maps, quantum billiards, semiclassical quantization, chaotic scattering, scaling in classical and quantum dynamics, dynamic localization, dynamic tunneling, effects of chaos in periodically driven systems and stochastic systems • Random matrix theory and supersymmetry The book is divided into several parts Chapters 2 through 4 deal with the dynamics of nonlinear conservative classical systems Chapter 5 and several appendices give a thorough grounding in random matrix theory and supersymmetry techniques Chapters 6 and 7 discuss the manifestations of chaos in bounded quantum systems and open quantum systems respectively Chapter 8 focuses on the semiclassical description of quantum systems with underlying classical chaos, and Chapt...

Is cancer a pure growth curve or does it follow a kinetics of dynamical structural transformation?

Science.gov (United States)

González, Maraelys Morales; Joa, Javier Antonio González; Cabrales, Luis Enrique Bergues; Pupo, Ana Elisa Bergues; Schneider, Baruch; Kondakci, Suleyman; Ciria, Héctor Manuel Camué; Reyes, Juan Bory; Jarque, Manuel Verdecia; Mateus, Miguel Angel O'Farril; González, Tamara Rubio; Brooks, Soraida Candida Acosta; Cáceres, José Luis Hernández; González, Gustavo Victoriano Sierra

2017-03-07

Unperturbed tumor growth kinetics is one of the more studied cancer topics; however, it is poorly understood. Mathematical modeling is a useful tool to elucidate new mechanisms involved in tumor growth kinetics, which can be relevant to understand cancer genesis and select the most suitable treatment. The classical Kolmogorov-Johnson-Mehl-Avrami as well as the modified Kolmogorov-Johnson-Mehl-Avrami models to describe unperturbed fibrosarcoma Sa-37 tumor growth are used and compared with the Gompertz modified and Logistic models. Viable tumor cells (1×10 5 ) are inoculated to 28 BALB/c male mice. Modified Gompertz, Logistic, Kolmogorov-Johnson-Mehl-Avrami classical and modified Kolmogorov-Johnson-Mehl-Avrami models fit well to the experimental data and agree with one another. A jump in the time behaviors of the instantaneous slopes of classical and modified Kolmogorov-Johnson-Mehl-Avrami models and high values of these instantaneous slopes at very early stages of tumor growth kinetics are observed. The modified Kolmogorov-Johnson-Mehl-Avrami equation can be used to describe unperturbed fibrosarcoma Sa-37 tumor growth. It reveals that diffusion-controlled nucleation/growth and impingement mechanisms are involved in tumor growth kinetics. On the other hand, tumor development kinetics reveals dynamical structural transformations rather than a pure growth curve. Tumor fractal property prevails during entire TGK.

Chemical kinetics of detonation in some liquid mixtures

Energy Technology Data Exchange (ETDEWEB)

Raikova, Vlada M.; Likholatov, Evgeny A. [Mendeleev University of Chemical Technology, Moscow (Russian Federation)

2005-09-01

The main objective of this work is to study the chemical kinetics of detonation reactions in some nitroester mixtures and solutions of nitrocompounds in concentrated nitric acid. The main source of information on chemical kinetics in the detonation wave was the experimental dependence of failure diameter on composition of mixtures. Calculations were carried out in terms of classic theory of Dremin using the SGKR computer code. Effective values for the activation energies and pre-exponential factors for detonation reactions in the mixtures under investigation have been defined. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

Typological Descriptions as Generative Guides for Historical Architecture

NARCIS (Netherlands)

Stouffs, R.M.F.A.; Tuncer, B.

2015-01-01

This paper presents a description grammar approach in the context of the generation of historical architectural typologies. The specific architectural context is classical period Ottoman mosques of the architect Sinan.

Kinetic mechanism for modeling of electrochemical reactions.

Science.gov (United States)

Cervenka, Petr; Hrdlička, Jiří; Přibyl, Michal; Snita, Dalimil

2012-04-01

We propose a kinetic mechanism of electrochemical interactions. We assume fast formation and recombination of electron donors D- and acceptors A+ on electrode surfaces. These mediators are continuously formed in the electrode matter by thermal fluctuations. The mediators D- and A+, chemically equivalent to the electrode metal, enter electrochemical interactions on the electrode surfaces. Electrochemical dynamics and current-voltage characteristics of a selected electrochemical system are studied. Our results are in good qualitative agreement with those given by the classical Butler-Volmer kinetics. The proposed model can be used to study fast electrochemical processes in microsystems and nanosystems that are often out of the thermal equilibrium. Moreover, the kinetic mechanism operates only with the surface concentrations of chemical reactants and local electric potentials, which facilitates the study of electrochemical systems with indefinable bulk.

Kinetic theory of tearing instability

International Nuclear Information System (INIS)

Hazeltine, R.D.; Dobrott, D.; Wang, T.S.

1975-01-01

The guiding-center kinetic equation with Fokker-Planck collision term is used to study, in cylindrical geometry, a class of dissipative instabilities of which the classical tearing mode is an archetype. Variational solution of the kinetic equation obviates the use of an approximate Ohm's law or adiabatic assumption, as used in previous studies, and it provides a dispersive relation which is uniformly valid for any ratio of wave frequency to collision frequency. One result of using the rigorous collision operator is the prediction of a new instability. This instability, driven by the electron temperature gradient, is predicted to occur under the long mean-free path conditions of present tokamak experiments, and has significant features in common with the kink-like oscillations observed in such experiments

Pre-equilibrium nuclear reactions: An introduction to classical and quantum-mechanical models

International Nuclear Information System (INIS)

Koning, A.J.; Akkermans, J.M.

1999-01-01

In studies of light-ion induced nuclear reactions one distinguishes three different mechanisms: direct, compound and pre-equilibrium nuclear reactions. These reaction processes can be subdivided according to time scales or, equivalently, the number of intranuclear collisions taking place before emission. Furthermore, each mechanism preferably excites certain parts of the nuclear level spectrum and is characterized by different types of angular distributions. This presentation includes description of the classical, exciton model, semi-classical models, with some selected results, and quantum mechanical models. A survey of classical versus quantum-mechanical pre-equilibrium reaction theory is presented including practical applications

Transient state work fluctuation theorem for a classical harmonic ...

Indian Academy of Sciences (India)

Based on a Hamiltonian description we present a rigorous derivation of the transient state work fluctuation theorem and the Jarzynski equality for a classical harmonic oscillator linearly coupled to a harmonic heat bath, which is dragged by an external agent. Coupling with the bath makes the dynamics dissipative. Since we ...

Determination of the crystal-melt interface kinetic coefficient from molecular dynamics simulations

International Nuclear Information System (INIS)

Monk, J; Mendelev, M I; Yang, Y; Asta, M; Hoyt, J J; Sun, D Y

2010-01-01

The generation and dissipation of latent heat at the moving solid–liquid boundary during non-equilibrium molecular dynamics (MD) simulations of crystallization can lead to significant underestimations of the interface mobility. In this work we examine the heat flow problem in detail for an embedded atom description of pure Ni and offer strategies to obtain an accurate value of the kinetic coefficient, μ. For free-solidification simulations in which the entire system is thermostated using a Nose–Hoover or velocity rescaling algorithm a non-uniform temperature profile is observed and a peak in the temperature is found at the interface position. It is shown that if the actual interface temperature, rather than the thermostat set point temperature, is used to compute the kinetic coefficient then μ is approximately a factor of 2 larger than previous estimates. In addition, we introduce a layered thermostat method in which several sub-regions, aligned normal to the crystallization direction, are indepently thermostated to a desired undercooling. We show that as the number of thermostats increases (i.e., as the width of each independently thermostated layer decreases) the kinetic coefficient converges to a value consistent with that obtained using a single thermostat and the calculated interface temperature. Also, the kinetic coefficient was determined from an analysis of the equilibrium fluctuations of the solid–liquid interface position. We demonstrate that the kinetic coefficient obtained from the relaxation times of the fluctuation spectrum is equivalent to the two values obtained from free-solidification simulations provided a simple correction is made for the contribution of heat flow controlled interface motion. Finally, a one-dimensional phase field model that captures the effect of thermostats has been developed. The mesoscale model reproduces qualitatively the results from MD simulations and thus allows for an a priori estimate of the accuracy of a

The definition of the pressure of the classical one-component plasma

International Nuclear Information System (INIS)

Navet, Marcel; Jamin, Eric; Feix, M.R.

1980-01-01

A numerical simulation illustrates the 'virial' kinetic definition of the pressure of the classical one-component plasma introduced in a recent note. In spherical geometry it is found that this pressure, divided by kT, is equal to the density of particles on the wall, and a complete explanation of the discrepancy with the generally accepted thermodynamical definition is given [fr

Quantum dynamics in transverse-field Ising models from classical networks

Directory of Open Access Journals (Sweden)

Markus Schmitt, Markus Heyl

2018-02-01

Full Text Available The efficient representation of quantum many-body states with classical resources is a key challenge in quantum many-body theory. In this work we analytically construct classical networks for the description of the quantum dynamics in transverse-field Ising models that can be solved efficiently using Monte Carlo techniques. Our perturbative construction encodes time-evolved quantum states of spin-1/2 systems in a network of classical spins with local couplings and can be directly generalized to other spin systems and higher spins. Using this construction we compute the transient dynamics in one, two, and three dimensions including local observables, entanglement production, and Loschmidt amplitudes using Monte Carlo algorithms and demonstrate the accuracy of this approach by comparisons to exact results. We include a mapping to equivalent artificial neural networks, which were recently introduced to provide a universal structure for classical network wave functions.

On Displacement Height, from Classical to Practical Formulation: Stress, Turbulent Transport and Vorticity Considerations

DEFF Research Database (Denmark)

Sogachev, Andrey; Kelly, Mark C.

2016-01-01

conditions. The new formulations tend to produce smaller d than stress-based forms, falling closer to the classic logarithmically-defined displacement height. The new, more generally defined, displacement height appears to be more compatible with profiles of components of the turbulent kinetic energy budget...

Using measurement-induced disturbance to characterize correlations as classical or quantum

International Nuclear Information System (INIS)

Luo Shunlong

2008-01-01

In contrast to the seminal entanglement-separability paradigm widely used in quantum information theory, we introduce a quantum-classical dichotomy in order to classify and quantify statistical correlations in bipartite states. This is based on the idea that while in the classical description of nature measurements can be carried out without disturbance, in the quantum description, generic measurements often disturb the system and the disturbance can be exploited to quantify the quantumness of correlations therein. It turns out that certain separable states still possess correlations of a quantum nature and indicates that quantum correlations are more general than entanglement. The results are illustrated in the Werner states and the isotropic states, and are applied to quantify the quantum advantage of the model of quantum computation proposed by Knill and Laflamme [Phys. Rev. Lett. 81, 5672 (1998)

Classical plasma dynamics of Mie-oscillations in atomic clusters

Science.gov (United States)

Kull, H.-J.; El-Khawaldeh, A.

2018-04-01

Mie plasmons are of basic importance for the absorption of laser light by atomic clusters. In this work we first review the classical Rayleigh-theory of a dielectric sphere in an external electric field and Thomson’s plum-pudding model applied to atomic clusters. Both approaches allow for elementary discussions of Mie oscillations, however, they also indicate deficiencies in describing the damping mechanisms by electrons crossing the cluster surface. Nonlinear oscillator models have been widely studied to gain an understanding of damping and absorption by outer ionization of the cluster. In the present work, we attempt to address the issue of plasmon relaxation in atomic clusters in more detail based on classical particle simulations. In particular, we wish to study the role of thermal motion on plasmon relaxation, thereby extending nonlinear models of collective single-electron motion. Our simulations are particularly adopted to the regime of classical kinetics in weakly coupled plasmas and to cluster sizes extending the Debye-screening length. It will be illustrated how surface scattering leads to the relaxation of Mie oscillations in the presence of thermal motion and of electron spill-out at the cluster surface. This work is intended to give, from a classical perspective, further insight into recent work on plasmon relaxation in quantum plasmas [1].

A multi water bag model of drift kinetic electron plasma

International Nuclear Information System (INIS)

Morel, P.; Dreydemy Ghiro, F.; Berionni, V.; Gurcan, O.D.; Coulette, D.; Besse, N.

2014-01-01

A Multi Water Bag model is proposed for describing drift kinetic plasmas in a magnetized cylindrical geometry, relevant for various experimental devices, solar wind modeling... The Multi Water Bag (MWB) model is adapted to the description of a plasma with kinetic electrons as well as an arbitrary number of kinetic ions. This allows to describe the kinetic dynamics of the electrons, making possible the study of electron temperature gradient (ETG) modes, in addition to the effects of non adiabatic electrons on the ion temperature gradient (ITG) modes, that are of prime importance in the magnetized plasmas micro-turbulence [X. Garbet, Y. Idomura, L. Villard, T.H. Watanabe, Nucl. Fusion 50, 043002 (2010); J.A. Krommes, Ann. Rev. Fluid Mech. 44, 175 (2012)]. The MWB model is shown to link kinetic and fluid descriptions, depending on the number of bags considered. Linear stability of the ETG modes is presented and compared to the existing results regarding cylindrical ITG modes [P. Morel, E. Gravier, N. Besse, R. Klein, A. Ghizzo, P. Bertrand, W. Garbet, Ph. Ghendrih, V. Grandgirard, Y. Sarazin, Phys. Plasmas 14, 112109 (2007)]. (authors)

Deformations of classical Lie algebras with homogeneous root system in characteristic two. I

International Nuclear Information System (INIS)

Chebochko, N G

2005-01-01

Spaces of local deformations of classical Lie algebras with a homogeneous root system over a field K of characteristic 2 are studied. By a classical Lie algebra over a field K we mean the Lie algebra of a simple algebraic Lie group or its quotient algebra by the centre. The description of deformations of Lie algebras is interesting in connection with the classification of the simple Lie algebras.

Classical and quantum Fisher information in the geometrical formulation of quantum mechanics

Energy Technology Data Exchange (ETDEWEB)

Facchi, Paolo [Dipartimento di Matematica, Universita di Bari, I-70125 Bari (Italy); INFN, Sezione di Bari, I-70126 Bari (Italy); MECENAS, Universita Federico II di Napoli and Universita di Bari (Italy); Kulkarni, Ravi [Vivekananda Yoga Research Foundation, Bangalore 560 080 (India); Man' ko, V.I., E-mail: manko@na.infn.i [P.N. Lebedev Physical Institute, Leninskii Prospect 53, Moscow 119991 (Russian Federation); Marmo, Giuseppe [Dipartimento di Scienze Fisiche, Universita di Napoli ' Federico II' , I-80126 Napoli (Italy); INFN, Sezione di Napoli, I-80126 Napoli (Italy); MECENAS, Universita Federico II di Napoli and Universita di Bari (Italy); Sudarshan, E.C.G. [Department of Physics, University of Texas, Austin, TX 78712 (United States); Ventriglia, Franco [Dipartimento di Scienze Fisiche, Universita di Napoli ' Federico II' , I-80126 Napoli (Italy); INFN, Sezione di Napoli, I-80126 Napoli (Italy); MECENAS, Universita Federico II di Napoli and Universita di Bari (Italy)

2010-11-01

The tomographic picture of quantum mechanics has brought the description of quantum states closer to that of classical probability and statistics. On the other hand, the geometrical formulation of quantum mechanics introduces a metric tensor and a symplectic tensor (Hermitian tensor) on the space of pure states. By putting these two aspects together, we show that the Fisher information metric, both classical and quantum, can be described by means of the Hermitian tensor on the manifold of pure states.

Classical and quantum Fisher information in the geometrical formulation of quantum mechanics

International Nuclear Information System (INIS)

Facchi, Paolo; Kulkarni, Ravi; Man'ko, V.I.; Marmo, Giuseppe; Sudarshan, E.C.G.; Ventriglia, Franco

2010-01-01

The tomographic picture of quantum mechanics has brought the description of quantum states closer to that of classical probability and statistics. On the other hand, the geometrical formulation of quantum mechanics introduces a metric tensor and a symplectic tensor (Hermitian tensor) on the space of pure states. By putting these two aspects together, we show that the Fisher information metric, both classical and quantum, can be described by means of the Hermitian tensor on the manifold of pure states.

Quantum gravity removes classical singularities and shortens the life of black holes

International Nuclear Information System (INIS)

Frolov, V.P.; Vilkovisky, G.A.

1982-01-01

One of the fundamental problems in classical General Relativity is what is to be done with singularities which inevitably arise in the theoretical description of the massive body (or total Universe) collapse. Although the singularities arising as a result of the gravitational collapse are believed to be hidden under event horizons and thus are not visible to an external observer, their very existence means the crisis of the classical gravitational physics. It is generally believed that the proper account of quantum effects may cure this disease. The aim of the present work is to show that it really happens, and quantum gravity does remove classical singularities. (Auth.)

Multiphase Flow and Fluidization Continuum and Kinetic Theory Descriptions

CERN Document Server

Gidaspow, Dimitri

1994-01-01

Useful as a reference for engineers in industry and as an advanced level text for graduate engineering students, Multiphase Flow and Fluidization takes the reader beyond the theoretical to demonstrate how multiphase flow equations can be used to provide applied, practical, predictive solutions to industrial fluidization problems. Written to help advance progress in the emerging science of multiphase flow, this book begins with the development of the conservation laws and moves on through kinetic theory, clarifying many physical concepts (such as particulate viscosity and solids pressure) and i

Drug-Target Kinetics in Drug Discovery.

Science.gov (United States)

Tonge, Peter J

2018-01-17

The development of therapies for the treatment of neurological cancer faces a number of major challenges including the synthesis of small molecule agents that can penetrate the blood-brain barrier (BBB). Given the likelihood that in many cases drug exposure will be lower in the CNS than in systemic circulation, it follows that strategies should be employed that can sustain target engagement at low drug concentration. Time dependent target occupancy is a function of both the drug and target concentration as well as the thermodynamic and kinetic parameters that describe the binding reaction coordinate, and sustained target occupancy can be achieved through structural modifications that increase target (re)binding and/or that decrease the rate of drug dissociation. The discovery and deployment of compounds with optimized kinetic effects requires information on the structure-kinetic relationships that modulate the kinetics of binding, and the molecular factors that control the translation of drug-target kinetics to time-dependent drug activity in the disease state. This Review first introduces the potential benefits of drug-target kinetics, such as the ability to delineate both thermodynamic and kinetic selectivity, and then describes factors, such as target vulnerability, that impact the utility of kinetic selectivity. The Review concludes with a description of a mechanistic PK/PD model that integrates drug-target kinetics into predictions of drug activity.

Quantum-Classical Correspondence: Dynamical Quantization and the Classical Limit

International Nuclear Information System (INIS)

Turner, L

2004-01-01

In only 150 pages, not counting appendices, references, or the index, this book is one author's perspective of the massive theoretical and philosophical hurdles in the no-man's-land separating the classical and quantum domains of physics. It ends with him emphasizing his own theoretical contribution to this area. In his own words, he has attempted to answer: 1. How can we obtain the quantum dynamics of open systems initially described by the equations of motion of classical physics (quantization process) 2. How can we retrieve classical dynamics from the quantum mechanical equations of motion by means of a classical limiting process (dequantization process). However, this monograph seems overly ambitious. Although the publisher's description refers to this book as an accessible entre, we find that this author scrambles too hastily over the peaks of information that are contained in his large collection of 272 references. Introductory motivating discussions are lacking. Profound ideas are glossed over superficially and shoddily. Equations morph. But no new convincing understanding of the physical world results. The author takes the viewpoint that physical systems are always in interaction with their environment and are thus not isolated and, therefore, not Hamiltonian. This impels him to produce a method of quantization of these stochastic systems without the need of a Hamiltonian. He also has interest in obtaining the classical limit of the quantized results. However, this reviewer does not understand why one needs to consider open systems to understand quantum-classical correspondence. The author demonstrates his method using various examples of the Smoluchowski form of the Fokker--Planck equation. He then renders these equations in a Wigner representation, uses what he terms an infinitesimality condition, and associates with a constant having the dimensions of an action. He thereby claims to develop master equations, such as the Caldeira-Leggett equation, without

Kinetic models in spin chemistry. 1. The hyperfine interaction

DEFF Research Database (Denmark)

Mojaza, M.; Pedersen, J. B.

2012-01-01

Kinetic models for quantum systems are quite popular due to their simplicity, although they are difficult to justify. We show that the transformation from quantum to kinetic description can be done exactly for the hyperfine interaction of one nuclei with arbitrary spin; more spins are described w...... induced enhancement of the reaction yield. (C) 2012 Elsevier B.V. All rights reserved....

Quantum epistemology from subquantum ontology: Quantum mechanics from theory of classical random fields

Science.gov (United States)

Khrennikov, Andrei

2017-02-01

The scientific methodology based on two descriptive levels, ontic (reality as it is) and epistemic (observational), is briefly presented. Following Schrödinger, we point to the possible gap between these two descriptions. Our main aim is to show that, although ontic entities may be unaccessible for observations, they can be useful for clarification of the physical nature of operational epistemic entities. We illustrate this thesis by the concrete example: starting with the concrete ontic model preceding quantum mechanics (the latter is treated as an epistemic model), namely, prequantum classical statistical field theory (PCSFT), we propose the natural physical interpretation for the basic quantum mechanical entity-the quantum state ("wave function"). The correspondence PCSFT ↦ QM is not straightforward, it couples the covariance operators of classical (prequantum) random fields with the quantum density operators. We use this correspondence to clarify the physical meaning of the pure quantum state and the superposition principle-by using the formalism of classical field correlations. In classical mechanics the phase space description can be considered as the ontic description, here states are given by points λ =(x , p) of phase space. The dynamics of the ontic state is given by the system of Hamiltonian equations.We can also consider probability distributions on the phase space (or equivalently random variables valued in it). We call them probabilistic ontic states. Dynamics of probabilistic ontic states is given by the Liouville equation.In classical physics we can (at least in principle) measure both the coordinate and momentum and hence ontic states can be treated as epistemic states as well (or it is better to say that here epistemic states can be treated as ontic states). Probabilistic ontic states represent probabilities for outcomes of joint measurement of position and momentum.However, this was a very special, although very important, example of

Classical-limit S-matrix for heavy ion scattering

International Nuclear Information System (INIS)

Donangelo, R.J.

1977-01-01

An integral representation for the classical limit of the quantum mechanical S-matrix is developed and applied to heavy-ion Coulomb excitation and Coulomb-nuclear interference. The method combines the quantum principle of superposition with exact classical dynamics to describe the projectile-target system. A detailed consideration of the classical trajectories and of the dimensionless parameters that characterize the system is carried out. The results are compared, where possible, to exact quantum mechanical calculations and to conventional semiclassical calculations. It is found that in the case of backscattering the classical limit S-matrix method is able to almost exactly reproduce the quantum-mechanical S-matrix elements, and therefore the transition probabilities, even for projectiles as light as protons. The results also suggest that this approach should be a better approximation for heavy-ion multiple Coulomb excitation than earlier semiclassical methods, due to a more accurate description of the classical orbits in the electromagnetic field of the target nucleus. Calculations using this method indicate that the rotational excitation probabilities in the Coulomb-nuclear interference region should be very sensitive to the details of the potential at the surface of the nucleus, suggesting that heavy-ion rotational excitation could constitute a sensitive probe of the nuclear potential in this region. The application to other problems as well as the present limits of applicability of the formalism are also discussed

Kinetic study of solid-state processes

International Nuclear Information System (INIS)

Malek, Jiri; Mitsuhashi, Takefumi

2003-01-01

A simple method for kinetic analysis of solid-state processes has been developed and the criteria capable of classifying different processes are explored. They provide a useful tool for the determination of the most suitable kinetic model. The method has been applied to the analysis of calorimetric data corresponding to the crystallization processes in amorphous ZrO 2 . It is found that the crystallization kinetics of amorphous powder sample exhibits a complex behavior under non-isothermal conditions. A two-parameter model provides a satisfactory description of the crystallization process for isothermal and non-isothermal conditions. This enables better control of crystallization extent in fine ZrO 2 powders that is important for preparation of zirconia ceramics with defined properties. (author)

Kinetic synergistic transitions in the Ostwald ripening processes

Science.gov (United States)

Sachkov, I. N.; Turygina, V. F.; Dolganov, A. N.

2018-01-01

There is proposed approach to mathematical description of the kinetic transitions in Ostwald ripening processes of volatile substance in nonuniformly heated porous materials. It is based upon the finite element method. There are implemented computer software. The main feature of the software is to calculate evaporation and condensation fluxes on the walls of a nonuniformly heated cylindrical capillary. Kinetic transitions are detected for three modes of volatile substances migration which are different by condensation zones location. There are controlling dimensionless parameters of the kinetic transition which are revealed during research. There is phase diagram of the Ostwald ripening process modes realization.

Classical representation of wave functions for integrable systems

International Nuclear Information System (INIS)

Kay, Kenneth G.

2004-01-01

Classical exact (CE) wave functions are certain integral representations of energy eigenfunctions that are parameterized in terms of the motion of the corresponding classical system in a semiclassically relevant way. When applied to systems for which they are not exact, such expressions serve as semiclassical approximations. Previous work identified CE wave functions for a number of specific systems and established their semiclassical usefulness. This paper explores the degree to which such representations can be found for more general systems. It is shown that CE wave functions exist, in principle, for bound states of an arbitrary integrable system that are confined to a single classically allowed region. Evidence is presented that CE representations also exist for more general states of such a system that are unbound, or that extend over more than one allowed region. The CE expressions are not unique: an innumerable variety exists for each such system. The existence proof provides a formal method for constructing CE expressions by Fourier transforming certain superpositions of energy eigenstates. The parameterization in terms of the classical motion is achieved by identifying certain quantities in these superpositions as classical action and angle variables. The semiclassical relevance of this identification is ensured by imposing some mild conditions on the coefficients in the superposition. This procedure for parameterizing exact wave functions in terms of classical variables indicates a basic relationship between the quantum and classical descriptions of states. The method of constructing CE wave functions introduced in the proof is shown to be consistent with a number of previously obtained CE formulas and is used to derive two new, closed-form, CE expressions. A simple numerical example is presented to illustrate the semiclassical application of one of these expressions and to further verify the physical significance of the classical parameterization

Reduced kinetic equations: An influence functional approach

International Nuclear Information System (INIS)

Wio, H.S.

1985-01-01

The author discusses a scheme for obtaining reduced descriptions of multivariate kinetic equations based on the 'influence functional' method of Feynmann. It is applied to the case of Fokker-Planck equations showing the form that results for the reduced equation. The possibility of Markovian or non-Markovian reduced description is discussed. As a particular example, the reduction of the Kramers equation to the Smoluchwski equation in the limit of high friction is also discussed

Kinetics of the chiral phase transition

Energy Technology Data Exchange (ETDEWEB)

Hees, Hendrik van [Johann-Wolfgang-Goethe-Universitaet Frankfurt, Institut fuer Theoretische Physik, Frankfurt (Germany); Frankfurt Institute for Advanced Studies (FIAS), Frankfurt (Germany); Wesp, Christian; Meistrenko, Alex; Greiner, Carsten [Johann-Wolfgang-Goethe-Universitaet Frankfurt, Institut fuer Theoretische Physik, Frankfurt (Germany)

2016-07-01

We simulate the kinetics of the chiral phase transition in hot and dense strongly interacting matter within a novel kinetic-theory approach. Employing an effective linear σ model for quarks, σ mesons, and pions we treat the quarks within a test-particle ansatz for solving the Boltzmann transport equation and the mesons in terms of classical fields. The decay-recombination processes like σ <-> anti q+q are treated using a kind of wave-particle dualism using the exact conservation of energy and momentum. After demonstrating the correct thermodynamic limit for particles and fields in a ''box calculation'' we apply the simulation to the dynamics of an expanding fireball similar to the medium created in ultrarelativistic heavy-ion collisions.

The condition for classical slow rolling in new inflation

International Nuclear Information System (INIS)

Sasaki, Misao; Nambu, Yasusada; Nakao, Ken-ichi.

1988-02-01

By means of the stochastic description of inflation, we investigate the dynamics of a fixed comoving domain in a continuously inflating universe on the global scale, both analytically and numerically. A particular attention is paid to the condition for a domain to enter the classical slow rolling phase. New inflationary universe models with the potential form, V(φ) ∼ V 0 - cφ 2n at φ ∼ 0 are considered. The critical value of the scalar field beyond which the field slowly rolls down the potential hill is estimated. We find, for all models under consideration, the condition for classical slow rolling is a sufficient condition for the expected amplitude of density perturbations to be smaller than unity. In other words, the density perturbation amplitude at the later Friedmann stage is always smaller than unity if the universe experienced the classical slow roll-over phase. (author)

The condition for classical slow rolling in new inflation

International Nuclear Information System (INIS)

Sasaki, Misao; Nambu, Yasusada; Nakao, Ken-ichi

1988-01-01

By means of the stochastic description of inflation we investigate the dynamics of a fixed comoving domain in a continuously inflating universe on a global scale, both analytically and numerically. Particular attention is paid to the condition for a domain to enter the classical slow rolling phase. New inflationary universe models with the potential form V(φ) ≅ V 0 -cφ 2n at φ ≅ 0 are considered. The critical value of the scalar field beyond which the field slowly rolls down the potential hill is estimated. We find that for all models under consideration, the condition for classical slow rolling is a sufficient condition for the expected amplitude of density perturbations to be smaller than unity. In other words, the density perturbation amplitude at the later Friedmann stage is always smaller than unity if the universe experienced the classical slow roll-over phase. (orig.)

Quantum kinetic Ising models

International Nuclear Information System (INIS)

Augusiak, R; Cucchietti, F M; Lewenstein, M; Haake, F

2010-01-01

In this paper, we introduce a quantum generalization of classical kinetic Ising models (KIM), described by a certain class of quantum many-body master equations. Similarly to KIMs with detailed balance that are equivalent to certain Hamiltonian systems, our models reduce to a set of Hamiltonian systems determining the dynamics of the elements of the many-body density matrix. The ground states of these Hamiltonians are well described by the matrix product, or pair entangled projected states. We discuss critical properties of such Hamiltonians, as well as entanglement properties of their low-energy states.

Repair kinetics in tissues

International Nuclear Information System (INIS)

Thames, H.D.

1989-01-01

Monoexponential repair kinetics is based on the assumption of a single, dose-independent rate of repair of sublethal injury in the target cells for tissue injury after exposure to ionizing radiation. Descriptions of the available data based on this assumption have proved fairly successful for both acutely responding (skin, lip mucosa, gut) and late-responding (lung, spinal cord) normal tissues. There are indications of biphasic exponential repair in both categories, however. Unfortunately, the data usually lack sufficient resolution to permit unambiguous determination of the repair rates. There are also indications that repair kinetics may depend on the size of the dose. The data are conflicting on this account, however, with suggestions of both faster and slower repair after larger doses. Indeed, experiments that have been explicitly designed to test this hypothesis show either no effect (gut, spinal cord), faster repair after higher doses (lung, kidney), or slower repair after higher doses (skin). Monoexponential repair appears to be a fairly accurate description that provides an approximation to a more complicated picture, the elucidation of whose details will, however, require very careful and extensive experimental study. (author). 30 refs.; 1 fig

From a quantum to a classical description of intense laser-atom physics with Bohmian trajectories

International Nuclear Information System (INIS)

Lai, X Y; Cai Qingyu; Zhan, M S

2009-01-01

In this paper, Bohmian mechanics is applied to intense laser-atom physics. The motion of an atomic electron in an intense laser field is obtained from the Bohm-Newton equation. We find that the quantum potential that dominates the quantum effect of a physical system becomes negligible as the electron is driven far from the parent ion by the intense laser field, i.e. the behavior of the electron smoothly tends towards classical soon after the electron is ionized. Our numerical calculations present direct positive evidence for semiclassical trajectory methods in intense laser-atom physics where the motion of the ionized electron is treated by classical mechanics, while quantum mechanics is needed before the ionization.

Episodic cluster headache from a textbook of 1745: van Swieten's classic description.

Science.gov (United States)

Isler, H

1993-06-01

The first description of cluster headache is usually attributed to authors who published between 1867 and 1939, but lately several researchers have found accounts dating back to the 18th or even the 17th century which are incomplete or do not account for cluster headache in the strict sense. However, Gerhard van Swieten gave a full description of a case of episodic cluster headache meeting the IHS criteria in 1745, in his textbook of clinical medicine, the mainstream textbook of Continental medicine in those years, since van Swieten was the founder of the then leading medical centre, the Vienna School. That the case was found again only in 1992 is due to the circumstance that it was published in Latin. It is presented here in an English translation facing the original Latin text.

Quantum correlations and dynamics from classical random fields valued in complex Hilbert spaces

International Nuclear Information System (INIS)

Khrennikov, Andrei

2010-01-01

One of the crucial differences between mathematical models of classical and quantum mechanics (QM) is the use of the tensor product of the state spaces of subsystems as the state space of the corresponding composite system. (To describe an ensemble of classical composite systems, one uses random variables taking values in the Cartesian product of the state spaces of subsystems.) We show that, nevertheless, it is possible to establish a natural correspondence between the classical and the quantum probabilistic descriptions of composite systems. Quantum averages for composite systems (including entangled) can be represented as averages with respect to classical random fields. It is essentially what Albert Einstein dreamed of. QM is represented as classical statistical mechanics with infinite-dimensional phase space. While the mathematical construction is completely rigorous, its physical interpretation is a complicated problem. We present the basic physical interpretation of prequantum classical statistical field theory in Sec. II. However, this is only the first step toward real physical theory.

Electron kinetics modeling in a weakly ionized gas

International Nuclear Information System (INIS)

Boeuf, Jean-Pierre

1985-01-01

This work presents some features of electron kinetics in a weakly ionized gas. After a summary of the basis and recent developments of the kinetic theory, and a review of the most efficient numerical techniques for solving the Boltzmann equation, several aspects of electron motion in gases are analysed. Relaxation phenomena toward equilibrium under a uniform electric field, and the question of the existence of the hydrodynamic regime are first studied. The coupling between electron kinetics and chemical kinetics due to second kind collisions in Nitrogen is then analysed; a quantitative description of the evolution of the energy balance, accounting for electron-molecule as well as molecule-molecule energy transfer is also given. Finally, electron kinetics in space charge distorted, highly non uniform electric fields (glow discharges, streamers propagation) is investigated with microscopic numerical methods based on Boltzmann and Poisson equations. (author) [fr

Nuclear matter kinetic coefficients and damping of finite nuclear collective modes

International Nuclear Information System (INIS)

Toledo Piza, A.F.R. de.

1986-06-01

By carrying the general description of one-body observables beyond the mean-field approximation, those correlation terms responsible for Kinetic phenomena and those involved in the renormalization of the G-matrix mean-field in finite nuclei are identified. A Kinetic equation for the one-body density is obtained. Estimates for transport coefficients and for the damping of zero sound are obtained which point to the inadequacy of hydrodynamical descriptions of collective nuclear modes and indicate that collisional damping in large nuclei may account for one or a few tenths of the observed widths. (S.D.) [pt

Classical particle dynamics in the quantum space

International Nuclear Information System (INIS)

Dineykhan, M.; Namsrai, Kh.

1985-01-01

It is suggested that if space-time is quantized at small distances then even at the classical level the particle motion in whole space is complicated and described by a nonlinear equation. In the quantum space the Lagrangian function or energy of the particle consists of two parts: usual kinetic and rotation term determined by the square of the inner angular momentum-torsion torque origin of which is caused by quantum nature of space. Rotation energy and rotation motion of the particle disappear in the limit l→0, l is the value of the fundamental length. In the free particle case, in addition to the rectilinear motion the particle undergoes rotation given by the inner angular momentum. Different possible types of the particle motion are discussed. Thus, the scheme may shed light on the essence of the appearance of rotation or twisting, stochastic and turbulent types of motion in classical physics and, perhaps, on the notion of spin in quantum physics within the framework of quantum character of space-time at small distances

Variational formalism for kinetic-MHD instabilities in tokamaks

International Nuclear Information System (INIS)

Edery, D.; Garbet, X.; Roubin, J.P.; Samain, A.

1991-07-01

A variational formalism that includes in a consistent way the tokamak plasma fluid response to an electromagnetic field as well as the particle-field resonant interaction effects is presented. The integrability of the unperturbed motion of the particles is used to establish a general functional similar to the classical Lagrangian for the electromagnetic field, which is extremum with respect to the field potentials. This functional is the sum of fluid terms closely related to the classical MHD energy and of resonant terms describing the kinetic effects. The formalism is used to study a critical issue in tokamak confinement, namely the sawteeth stabilization by energetic particles

On the description of classical Einstein relativistic two-particle systems

International Nuclear Information System (INIS)

Aaberge, T.

1978-01-01

The author starts by considering the system of one free particle, and gives a sufficiently general description of this system to include the center of mass of systems of several particles. He then passes to the system of two particles. The coordinates separating the center of mass and the internal system are defined and the dynamics discussed. Finally the author outlines the construction of a more restrictive two-particle theory, and studies some consequences of the definition of a particle in an external field as a two-particle system in the limit where the mass of one of the particles becomes infinite. (Auth.)

Plasmon mass scale and quantum fluctuations of classical fields on a real time lattice

Science.gov (United States)

Kurkela, Aleksi; Lappi, Tuomas; Peuron, Jarkko

2018-03-01

Classical real-time lattice simulations play an important role in understanding non-equilibrium phenomena in gauge theories and are used in particular to model the prethermal evolution of heavy-ion collisions. Above the Debye scale the classical Yang-Mills (CYM) theory can be matched smoothly to kinetic theory. First we study the limits of the quasiparticle picture of the CYM fields by determining the plasmon mass of the system using 3 different methods. Then we argue that one needs a numerical calculation of a system of classical gauge fields and small linearized fluctuations, which correspond to quantum fluctuations, in a way that keeps the separation between the two manifest. We demonstrate and test an implementation of an algorithm with the linearized fluctuation showing that the linearization indeed works and that the Gauss's law is conserved.

A classical treatment of the quadratic Zeeman effect in atomic hydrogen

Science.gov (United States)

Al-Laithy, M. A.; Farmer, C. M.; McDowell, M. R. C.

1985-03-01

A description of the non-relativistic classical motion of the electron of a hydrogen atom in the presence of a static magnetic field of arbitrary (non-relativistic) strength is given for arbitrary angular momentum. Applications are given to m = 0 and m = 3 at B = 26.877 kG.

Study and discretization of kinetic models and fluid models at low Mach number

International Nuclear Information System (INIS)

Dellacherie, Stephane

2011-01-01

This thesis summarizes our work between 1995 and 2010. It concerns the analysis and the discretization of Fokker-Planck or semi-classical Boltzmann kinetic models and of Euler or Navier-Stokes fluid models at low Mach number. The studied Fokker-Planck equation models the collisions between ions and electrons in a hot plasma, and is here applied to the inertial confinement fusion. The studied semi-classical Boltzmann equations are of two types. The first one models the thermonuclear reaction between a deuterium ion and a tritium ion producing an α particle and a neutron particle, and is also in our case used to describe inertial confinement fusion. The second one (known as the Wang-Chang and Uhlenbeck equations) models the transitions between electronic quantified energy levels of uranium and iron atoms in the AVLIS isotopic separation process. The basic properties of these two Boltzmann equations are studied, and, for the Wang-Chang and Uhlenbeck equations, a kinetic-fluid coupling algorithm is proposed. This kinetic-fluid coupling algorithm incited us to study the relaxation concept for gas and immiscible fluids mixtures, and to underline connections with classical kinetic theory. Then, a diphasic low Mach number model without acoustic waves is proposed to model the deformation of the interface between two immiscible fluids induced by high heat transfers at low Mach number. In order to increase the accuracy of the results without increasing computational cost, an AMR algorithm is studied on a simplified interface deformation model. These low Mach number studies also incited us to analyse on cartesian meshes the inaccuracy at low Mach number of Godunov schemes. Finally, the LBM algorithm applied to the heat equation is justified

Sulfide toxicity kinetics of a uasb reactor

Directory of Open Access Journals (Sweden)

D. R. Paula Jr.

2009-12-01

Full Text Available The effect of sulfide toxicity on kinetic parameters of anaerobic organic matter removal in a UASB (up-flow anaerobic sludge blanket reactor is presented. Two lab-scale UASB reactors (10.5 L were operated continuously during 12 months. The reactors were fed with synthetic wastes prepared daily using glucose, ammonium acetate, methanol and nutrient solution. One of the reactors also received increasing concentrations of sodium sulfide. For both reactors, the flow rate of 16 L.d-1 was held constant throughout the experiment, corresponding to a hydraulic retention time of 15.6 hours. The classic model for non-competitive sulfide inhibition was applied to the experimental data for determining the overall kinetic parameter of specific substrate utilization (q and the sulfide inhibition coefficient (Ki. The application of the kinetic parameters determined allows prediction of methanogenesis inhibition and thus the adoption of operating parameters to minimize sulfide toxicity in UASB reactors.

Influence of collective nonideal shielding on fusion reaction in partially ionized classical nonideal plasmas

Science.gov (United States)

Lee, Myoung-Jae; Jung, Young-Dae

2017-04-01

The collective nonideal effects on the nuclear fusion reaction process are investigated in partially ionized classical nonideal hydrogen plasmas. The effective pseudopotential model taking into account the collective and plasma shielding effects is applied to describe the interaction potential in nonideal plasmas. The analytic expressions of the Sommerfeld parameter, the fusion penetration factor, and the cross section for the nuclear fusion reaction in nonideal plasmas are obtained as functions of the nonideality parameter, Debye length, and relative kinetic energy. It is found that the Sommerfeld parameter is suppressed due to the influence of collective nonideal shielding. However, the collective nonideal shielding is found to enhance the fusion penetration factor in partially ionized classical nonideal plasmas. It is also found that the fusion penetration factors in nonideal plasmas represented by the pseudopotential model are always greater than those in ideal plasmas represented by the Debye-Hückel model. In addition, it is shown that the collective nonideal shielding effect on the fusion penetration factor decreases with an increase of the kinetic energy.

Dynamics of electrically charged extended bodies: classical and quantum systems

International Nuclear Information System (INIS)

Aaberge, T.

1987-01-01

The author present generalizations of classical mechanics and quantum mechanics that make it possible to describe N charged extended bodies.In particular, we are able to write down a set of coupled equations for the system of N bodies plus field. The theory is based on a theory for the description of N charged chemical fluid components

From the attempt of certain classical reformulations of quantum mechanics to quasi-probability representations

International Nuclear Information System (INIS)

Stulpe, Werner

2014-01-01

The concept of an injective affine embedding of the quantum states into a set of classical states, i.e., into the set of the probability measures on some measurable space, as well as its relation to statistically complete observables is revisited, and its limitation in view of a classical reformulation of the statistical scheme of quantum mechanics is discussed. In particular, on the basis of a theorem concerning a non-denseness property of a set of coexistent effects, it is shown that an injective classical embedding of the quantum states cannot be supplemented by an at least approximate classical description of the quantum mechanical effects. As an alternative approach, the concept of quasi-probability representations of quantum mechanics is considered

Modeling capsid kinetics assembly from the steady state distribution of multi-sizes aggregates

Energy Technology Data Exchange (ETDEWEB)

Hozé, Nathanaël; Holcman, David

2014-01-24

The kinetics of aggregation for particles of various sizes depends on their diffusive arrival and fusion at a specific nucleation site. We present here a mean-field approximation and a stochastic jump model for aggregates at equilibrium. This approach is an alternative to the classical Smoluchowski equations that do not have a close form and are not solvable in general. We analyze these mean-field equations and obtain the kinetics of a cluster formation. Our approach provides a simplified theoretical framework to study the kinetics of viral capsid formation, such as HIV from the self-assembly of the structural proteins Gag.

Fundamental aspects of plasma chemical physics kinetics

CERN Document Server

Capitelli, Mario; Colonna, Gianpiero; Esposito, Fabrizio; Gorse, Claudine; Hassouni, Khaled; Laricchiuta, Annarita; Longo, Savino

2016-01-01

Describing non-equilibrium "cold" plasmas through a chemical physics approach, this book uses the state-to-state plasma kinetics, which considers each internal state as a new species with its own cross sections. Extended atomic and molecular master equations are coupled with Boltzmann and Monte Carlo methods to solve the electron energy distribution function. Selected examples in different applied fields, such as microelectronics, fusion, and aerospace, are presented and discussed including the self-consistent kinetics in RF parallel plate reactors, the optimization of negative ion sources and the expansion of high enthalpy flows through nozzles of different geometries. The book will cover the main aspects of the state-to-state kinetic approach for the description of nonequilibrium cold plasmas, illustrating the more recent achievements in the development of kinetic models including the self-consistent coupling of master equations and Boltzmann equation for electron dynamics. To give a complete portrayal, the...

Classical diffusion, Anderson localization, and spectral statistics in billiard chains

International Nuclear Information System (INIS)

Dittrich, T.; Doron, E.; Smilansky, U.

1993-03-01

We study spectral properties of quasi one-dimensional extended systems that show deterministic diffusion on the classical level and Anderson localization in the quantal description. Using semiclassical arguments, we relate to universal aspects of the spectral fluctuations to features of the set of classical periodic orbits, expressed in terms of probability to perform periodic motion, that are likewise universal. This allows to derive an analytical expression for the spectral form factor which reflects the diffusive nature of the corresponding classical dynamics. It defines a novel spectral universality class which covers the transition between GOE statistics in the limit of a small ratio of the system size to the localization length, corresponding to the metallic regime of disordered systems, to Poissonian level fluctuations in the opposite limit. Our semiclassical predictions are illustrated and confirmed by a numerical investigation of aperiodic chains of chaotic billiards. (authors)

Empirical models in the description of prickly pear shoot (Nopal drying kinetics

Directory of Open Access Journals (Sweden)

Emmanuel M. Pereira

Full Text Available ABSTRACT The objective of this study was to describe the technological process involved in the drying kinetics of fresh-cut prickly pear shoots through numerical and analytical solutions. Shoots of two different prickly pear species were used, ‘Gigante’ and ‘Miúda’. Drying was performed at different temperatures (50, 60, 70 and 80 °C and weighing procedures were made continuously. The experimental data were expressed as moisture ratio. The Page model showed the best fit to the drying kinetics of minimally processed ‘Gigante’ and ‘Miúda’ prickly pear shoots, with the best coefficients of determination and Chi-square. Peleg and Wang & Singh models can not be used to simulate the drying of ‘Gigante’ and ‘Miúda’ prickly pear shoots within the evaluated range of temperatures, showing an incoherent graphic pattern.

Classical model with pionic degrees of freedom for the description of high energetic heavy ion collisions

International Nuclear Information System (INIS)

Kunz, J.

1982-01-01

In this thesis the classical model is extended in order to regard the inelastic processes important in the heavy ion collisions of the considered energy range. For this a classical pion field was coupled to the nucleons via the pseudo-scalar #betta# 5 -interactions. Nucleon and pion fields were treated in a completely relativistic way. The equations of motion were analytically studied for the one-nucleon system. From the statical solution the bare mass of the nucleon was determined, and its dependence on both parameters of this modell, the coupling constant and the cut-off momentum of the form factor, was considered. (orig./HSI) [de

Mass, Momentum and Kinetic Energy of a Relativistic Particle

Science.gov (United States)

Zanchini, Enzo

2010-01-01

A rigorous definition of mass in special relativity, proposed in a recent paper, is recalled and employed to obtain simple and rigorous deductions of the expressions of momentum and kinetic energy for a relativistic particle. The whole logical framework appears as the natural extension of the classical one. Only the first, second and third laws of…

Asymptotic kinetic theory of magnetized plasmas: quasi-particle concept

International Nuclear Information System (INIS)

Sosenko, P.P.; Zagorodny, A.H.

2004-01-01

The asymptotic kinetic theory of magnetized plasmas is elaborated within the context of general statistical approach and asymptotic methods, developed by M. Krylov and M. Bohol'ubov, for linear and non-linear dynamic systems with a rapidly rotating phase. The quasi-particles are introduced already on the microscopic level. Asymptotic expansions enable to close the description for slow processes, and to relate consistently particles and guiding centres to quasi-particles. The kinetic equation for quasi-particles is derived. It makes a basis for the reduced description of slow collective phenomena in the medium. The kinetic equation for quasi-particles takes into account self-consistent interaction fields, quasi-particle collisions and collective-fluctuation-induced relaxation of quasi-particle distribution function. The relationships between the distribution functions for particles, guiding centres and quasi-particles are derived taking into account fluctuations, which can be especially important in turbulent states. In this way macroscopic (statistical) particle properties can be obtained from those of quasi-particles in the general case of non-equilibrium. (authors)

On the validity of classical description of scattering of atomic particles at mean energies

International Nuclear Information System (INIS)

Pustovit, A.N.

2004-01-01

The conditions of applicability of the classical theory of atomic particle scattering to the small angle and quasi-small angle approximations in calculations of mean-energy particle deflection angles using power interaction potential are analyzed. The applicability range is shown to be much widened for the quasi-small angle approximation, extending to the ranges of quantum theory applicability [ru

Atomistic simulations of surfactant adsorption kinetics at interfaces

Science.gov (United States)

Iskrenova, Eugeniya; Patnaik, Soumya

2014-03-01

Heat transfer control and enhancement is an important and challenging problem in a variety of industrial and technological applications including aircraft thermal management. The role of additives in nucleate boiling and phase change in general has long been recognized and studied experimentally and modeled theoretically but in-depth description and atomistic understanding of the multiscale processes involved are still needed for better prediction and control of the heat transfer efficiency. Surfactant additives have been experimentally observed to either enhance or inhibit the boiling heat transfer depending on the surfactant concentration and chemistry and, on a molecular level, their addition leads to dynamic surface tension and changes in interfacial and transfer properties, thus contributing to the complexity of the problem. We present our atomistic modeling study of the interfacial adsorption kinetics of aqueous surfactant (sodium dodecyl sulfate) systems at a range of concentrations at room and boiling temperatures. Classical molecular dynamics and Umbrella Sampling simulations were used to study the surfactant transport properties and estimate the adsorption and desorption rates at liquid-vacuum and liquid-solid interfaces. The authors gratefully acknowledge funding from AFOSR Thermal Science Program and the Air Force Research Laboratory DoD Supercomputing Resource Center for computing time and resources.

Young's moduli of carbon materials investigated by various classical molecular dynamics schemes

Science.gov (United States)

Gayk, Florian; Ehrens, Julian; Heitmann, Tjark; Vorndamme, Patrick; Mrugalla, Andreas; Schnack, Jürgen

2018-05-01

For many applications classical carbon potentials together with classical molecular dynamics are employed to calculate structures and physical properties of such carbon-based materials where quantum mechanical methods fail either due to the excessive size, irregular structure or long-time dynamics. Although such potentials, as for instance implemented in LAMMPS, yield reasonably accurate bond lengths and angles for several carbon materials such as graphene, it is not clear how accurate they are in terms of mechanical properties such as for instance Young's moduli. We performed large-scale classical molecular dynamics investigations of three carbon-based materials using the various potentials implemented in LAMMPS as well as the EDIP potential of Marks. We show how the Young's moduli vary with classical potentials and compare to experimental results. Since classical descriptions of carbon are bound to be approximations it is not astonishing that different realizations yield differing results. One should therefore carefully check for which observables a certain potential is suited. Our aim is to contribute to such a clarification.

Spectral Quasi-Equilibrium Manifold for Chemical Kinetics.

Science.gov (United States)

Kooshkbaghi, Mahdi; Frouzakis, Christos E; Boulouchos, Konstantinos; Karlin, Iliya V

2016-05-26

The Spectral Quasi-Equilibrium Manifold (SQEM) method is a model reduction technique for chemical kinetics based on entropy maximization under constraints built by the slowest eigenvectors at equilibrium. The method is revisited here and discussed and validated through the Michaelis-Menten kinetic scheme, and the quality of the reduction is related to the temporal evolution and the gap between eigenvalues. SQEM is then applied to detailed reaction mechanisms for the homogeneous combustion of hydrogen, syngas, and methane mixtures with air in adiabatic constant pressure reactors. The system states computed using SQEM are compared with those obtained by direct integration of the detailed mechanism, and good agreement between the reduced and the detailed descriptions is demonstrated. The SQEM reduced model of hydrogen/air combustion is also compared with another similar technique, the Rate-Controlled Constrained-Equilibrium (RCCE). For the same number of representative variables, SQEM is found to provide a more accurate description.

Study of the kinetics parameters for subcritical media driven by source

International Nuclear Information System (INIS)

Lee, S.M.; Maiorino, J.R.

2009-01-01

This paper presents a theoretical study of reactor kinetics focusing on the methodology of calculation and the experimental measurements of the so-called kinetic parameters. A comparison between the methodology based on the Dulla's formalism and the classical method is made. The objective is to exhibit the dependence of the parameters on sub criticality level and perturbation. Two different slab type systems were considered: thermal one and fast one, both with homogeneous media. One group diffusion model was used for the fast reactor, and for the thermal system, two group diffusion model, considering, in both case only one precursor's family. For reason of simplicity, several additional assumptions were made for calculation of two group method: no up-scattering, fission reaction occurring only in thermal group, etc. The solutions for subcritical systems were obtained using the expansion method, and for critical systems, the methods presented in classical textbooks of reactor physics were applied. The numerical results presented their dependence on sub criticality level and perturbation. (author)

Plasmon mass scale and quantum fluctuations of classical fields on a real time lattice

Directory of Open Access Journals (Sweden)

Kurkela Aleksi

2018-01-01

Full Text Available Classical real-time lattice simulations play an important role in understanding non-equilibrium phenomena in gauge theories and are used in particular to model the prethermal evolution of heavy-ion collisions. Above the Debye scale the classical Yang-Mills (CYM theory can be matched smoothly to kinetic theory. First we study the limits of the quasiparticle picture of the CYM fields by determining the plasmon mass of the system using 3 different methods. Then we argue that one needs a numerical calculation of a system of classical gauge fields and small linearized fluctuations, which correspond to quantum fluctuations, in a way that keeps the separation between the two manifest. We demonstrate and test an implementation of an algorithm with the linearized fluctuation showing that the linearization indeed works and that the Gauss’s law is conserved.

Communication: Symmetrical quasi-classical analysis of linear optical spectroscopy

Science.gov (United States)

Provazza, Justin; Coker, David F.

2018-05-01

The symmetrical quasi-classical approach for propagation of a many degree of freedom density matrix is explored in the context of computing linear spectra. Calculations on a simple two state model for which exact results are available suggest that the approach gives a qualitative description of peak positions, relative amplitudes, and line broadening. Short time details in the computed dipole autocorrelation function result in exaggerated tails in the spectrum.

A classical density functional investigation of nucleation

International Nuclear Information System (INIS)

Ghosh, Satinath; Ghosh, Swapan K.

2009-01-01

Study of nucleation and growth phenomena in condensation is of prime importance in various applications such as crystal growth, nanoparticle synthesis, pattern formation etc. The knowledge of nucleation barrier in condensation is necessary to control the nucleation kinetics, size of the nanoparticles etc. Classical nucleation theory (CNT) assumes the density of the drop as bulk density irrespective of the size of the drop and overestimates the nucleation barrier. Here we are interested in solving the problem analytically using density functional theory (DFT) with square gradient approximation along the lines of Cahn and Hilliard. Nucleation barrier and density profile obtained in this work are consistent with other works based on nonclassical theory. (author)

Solution of the reactor point kinetics equations by MATLAB computing

Directory of Open Access Journals (Sweden)

Singh Sudhansu S.

2015-01-01

Full Text Available The numerical solution of the point kinetics equations in the presence of Newtonian temperature feedback has been a challenging issue for analyzing the reactor transients. Reactor point kinetics equations are a system of stiff ordinary differential equations which need special numerical treatments. Although a plethora of numerical intricacies have been introduced to solve the point kinetics equations over the years, some of the simple and straightforward methods still work very efficiently with extraordinary accuracy. As an example, it has been shown recently that the fundamental backward Euler finite difference algorithm with its simplicity has proven to be one of the most effective legacy methods. Complementing the back-ward Euler finite difference scheme, the present work demonstrates the application of ordinary differential equation suite available in the MATLAB software package to solve the stiff reactor point kinetics equations with Newtonian temperature feedback effects very effectively by analyzing various classic benchmark cases. Fair accuracy of the results implies the efficient application of MATLAB ordinary differential equation suite for solving the reactor point kinetics equations as an alternate method for future applications.

Fine kinetics of natural physical ageing in glassy As10Se90

International Nuclear Information System (INIS)

Balitska, V.; Golovchak, R.; Kozdras, A.; Shpotyuk, O.

2014-01-01

Sigmoid behavior of natural physical ageing in glassy As 10 Se 90 reveals multi-step-wise growing kinetics of enthalpy losses. Phenomenological description of this kinetics can be adequately developed in terms of first-order relaxation processes, tending atomic structure from initial towards more thermodynamically equilibrium state. This kinetics is shown to obey characteristic stretched exponential behavior originated from a number of growing steps, attributed to the interconnected processes of chalcogen chain alignment and cooperative shrinkage of glass network

Classical treatments of quantum mechanical effects in collisions of weakly bound complexes

International Nuclear Information System (INIS)

Lopez, Jose G.; McCoy, Anne B.

2005-01-01

Classical and quantum simulations of Ne + Ar 2 collision dynamics are performed in order to investigate where quantum mechanical effects are most important and where classical simulations provide good descriptions of the dynamics. It is found that when Ar 2 is in a low-lying vibrational state, the differences between the results of quantum and quasiclassical simulations are profound. However, excellent agreement between the results of the quantum and classical simulations can be achieved when the initial conditions for the classical trajectories are sampled from the quantum phase space distribution given by the Wigner function. These effects are largest when collisions occur under constrained geometries or when Ar 2 is in its ground vibrational state. The results of this work suggest that sampling the initial conditions using the Wigner function provides a straightforward way to incorporate the most important quantum mechanical effects in simulations of collisions involving very cold weakly bound complexes

Kinetics of niobium carbide precipitation in ferrite; Cinetiques de precipitation du carbure de niobium dans la ferrite

Energy Technology Data Exchange (ETDEWEB)

Gendt, D

2001-07-01

The aim of this study is to develop a NbC precipitation modelling in ferrite. This theoretical study is motivated by the fact it considers a ternary system and focus on the concurrence of two different diffusion mechanisms. An experimental study with TEP, SANS and Vickers micro-hardening measurements allows a description of the NbC precipitation kinetics. The mean radius of the precipitates is characterized by TEM observations. To focus on the nucleation stage, we use the Tomographic Atom Probe that analyses, at an atomistic scale, the position of the solute atoms in the matrix. A first model based on the classical nucleation theory and the diffusion-limited growth describes the precipitation of spherical precipitates. To solve the set of equations, we use a numerical algorithm that furnishes an evaluation of the precipitated fraction, the mean radius and the whole size distribution of the particles. The parameters that are the interface energy, the solubility product and the diffusion coefficients are fitted with the data available in the literature and our experimental results. It allows a satisfactory agreement as regards to the simplicity of the model. Monte Carlo simulations are used to describe the evolution of a ternary alloy Fe-Nb-C on a cubic centred rigid lattice with vacancy and interstitial mechanisms. This is realized with an atomistic description of the atoms jumps and their related frequencies. The model parameters are fitted with phase diagrams and diffusion coefficients. For the sake of simplicity, we consider that the precipitation of NbC is totally coherent and we neglect any elastic strain effect. We can observe different kinetic paths: for low supersaturations, we find an expected precipitation of NbC but for higher supersaturations, the very fast diffusivity of carbon atoms conducts to the nucleation of iron carbide particles. We establish that the occurrence of this second phenomenon depends on the vacancy arrival kinetics and can be related

Dislocation kinetics and the acoustic-wave approximation for liquids

International Nuclear Information System (INIS)

Stout, R.B.

1983-03-01

A dislocation-dependent model for liquids describes the lattice deformation and the fluidity deformation as additive deformations. The lattice deformation represents distortions of an atom's potential energy structure and is a recoverable deformation response. The fluidity deformation represents discontinuous repositioning of atoms by dislocation kinetics in the lattice structure and is a nonrecoverable deformation response. From this model, one concludes that in liquids the acoustic-wave approximation is a description of a recoverable oscillation deformation that has dissipation because of dislocation kinetics. Other more-complex waves may exist, but such waves would rapidly disappear because of the small thermodynamic potential for dislocation kinetics in liquids

A barrier on the public communication of nuclear technology. How to interpret reactor kinetics

International Nuclear Information System (INIS)

Yamamoto, Akio

2007-01-01

Reactor kinetics is very important to explain the safety of nuclear reactors. However, its description is somewhat complicated and not intuitive. In order to give more intuitive explanation for reactor kinetics, some metaphors that try to capture the feature of reactor behavior are discussed. (author)

Vlasov simulations of kinetic Alfvén waves at proton kinetic scales

Energy Technology Data Exchange (ETDEWEB)

Vásconez, C. L. [Dipartimento di Fisica, Università della Calabria, I-87036 Cosenza (Italy); Observatorio Astronómico de Quito, Escuela Politécnica Nacional, Quito (Ecuador); Valentini, F.; Veltri, P. [Dipartimento di Fisica, Università della Calabria, I-87036 Cosenza (Italy); Camporeale, E. [Centrum Wiskunde and Informatica, Amsterdam (Netherlands)

2014-11-15

Kinetic Alfvén waves represent an important subject in space plasma physics, since they are thought to play a crucial role in the development of the turbulent energy cascade in the solar wind plasma at short wavelengths (of the order of the proton gyro radius ρ{sub p} and/or inertial length d{sub p} and beyond). A full understanding of the physical mechanisms which govern the kinetic plasma dynamics at these scales can provide important clues on the problem of the turbulent dissipation and heating in collisionless systems. In this paper, hybrid Vlasov-Maxwell simulations are employed to analyze in detail the features of the kinetic Alfvén waves at proton kinetic scales, in typical conditions of the solar wind environment (proton plasma beta β{sub p} = 1). In particular, linear and nonlinear regimes of propagation of these fluctuations have been investigated in a single-wave situation, focusing on the physical processes of collisionless Landau damping and wave-particle resonant interaction. Interestingly, since for wavelengths close to d{sub p} and β{sub p} ≃ 1 (for which ρ{sub p} ≃ d{sub p}) the kinetic Alfvén waves have small phase speed compared to the proton thermal velocity, wave-particle interaction processes produce significant deformations in the core of the particle velocity distribution, appearing as phase space vortices and resulting in flat-top velocity profiles. Moreover, as the Eulerian hybrid Vlasov-Maxwell algorithm allows for a clean almost noise-free description of the velocity space, three-dimensional plots of the proton velocity distribution help to emphasize how the plasma departs from the Maxwellian configuration of thermodynamic equilibrium due to nonlinear kinetic effects.

General treatment of quantum and classical spinning particles in external fields

Science.gov (United States)

Obukhov, Yuri N.; Silenko, Alexander J.; Teryaev, Oleg V.

2017-11-01

We develop the general theory of spinning particles with electric and magnetic dipole moments moving in arbitrary electromagnetic, inertial, and gravitational fields. Both the quantum-mechanical and classical dynamics is investigated. We start from the covariant Dirac equation extended to a spin-1/2 fermion with anomalous magnetic and electric dipole moments and then perform the relativistic Foldy-Wouthuysen transformation. This transformation allows us to obtain the quantum-mechanical equations of motion for the physical operators in the Schrödinger form and to establish the classical limit of relativistic quantum mechanics. The results obtained are then compared to the general classical description of the spinning particle interacting with electromagnetic, inertial and gravitational fields. The complete agreement between the quantum mechanics and the classical theory is proven in the general case. As an application of the results obtained, we consider the dynamics of a spinning particle in a gravitational wave and analyze the prospects of using the magnetic resonance setup to find possible manifestations of the gravitational wave on spin.

Clinical features of Friedreich's ataxia: classical and atypical phenotypes.

Science.gov (United States)

Parkinson, Michael H; Boesch, Sylvia; Nachbauer, Wolfgang; Mariotti, Caterina; Giunti, Paola

2013-08-01

One hundred and fifty years since Nikolaus Friedreich's first description of the degenerative ataxic syndrome which bears his name, his description remains at the core of the classical clinical phenotype of gait and limb ataxia, poor balance and coordination, leg weakness, sensory loss, areflexia, impaired walking, dysarthria, dysphagia, eye movement abnormalities, scoliosis, foot deformities, cardiomyopathy and diabetes. Onset is typically around puberty with slow progression and shortened life-span often related to cardiac complications. Inheritance is autosomal recessive with the vast majority of cases showing an unstable intronic GAA expansion in both alleles of the frataxin gene on chromosome 9q13. A small number of cases are caused by a compound heterozygous expansion with a point mutation or deletion. Understanding of the underlying molecular biology has enabled identification of atypical phenotypes with late onset, or atypical features such as retained reflexes. Late-onset cases tend to have slower progression and are associated with smaller GAA expansions. Early-onset cases tend to have more rapid progression and a higher frequency of non-neurological features such as diabetes, cardiomyopathy, scoliosis and pes cavus. Compound heterozygotes, including those with large deletions, often have atypical features. In this paper, we review the classical and atypical clinical phenotypes of Friedreich's ataxia. © 2013 International Society for Neurochemistry.

Construction of classical and non-classical coherent photon states

International Nuclear Information System (INIS)

Honegger, Reinhard; Rieckers, Alfred

2001-01-01

It is well known that the diagonal matrix elements of all-order coherent states for the quantized electromagnetic field have to constitute a Poisson distribution with respect to the photon number. The present work gives first the summary of a constructive scheme, developed previously, which determines in terms of an auxiliary Hilbert space all possible off-diagonal elements for the all-order coherent density operators in Fock space and which identifies all extremal coherent states. In terms of this formalism it is then demonstrated that each pure classical coherent state is a uniformly phase locked (quantum) coherent superposition of number states. In a mixed classical coherent state the exponential of the locked phase is shown to be replaced by a rather arbitrary unitary operator in the auxiliary Hilbert space. On the other hand classes for density operators--and for their normally ordered characteristic functions--of non-classical coherent states are obtained, especially by rather weak perturbations of classical coherent states. These illustrate various forms of breaking the classical uniform phase locking and exhibit rather peculiar properties, such as asymmetric fluctuations for the quadrature phase operators. Several criteria for non-classicality are put forward and applied to the elaborated non-classical coherent states, providing counterexamples against too simple arguments for classicality. It is concluded that classicality is only a stable concept for coherent states with macroscopic intensity

Classical, Semi-classical and Quantum Noise

CERN Document Server

Poor, H; Scully, Marlan

2012-01-01

David Middleton was a towering figure of 20th Century engineering and science and one of the founders of statistical communication theory. During the second World War, the young David Middleton, working with Van Fleck, devised the notion of the matched filter, which is the most basic method used for detecting signals in noise. Over the intervening six decades, the contributions of Middleton have become classics. This collection of essays by leading scientists, engineers and colleagues of David are in his honor and reflect the wide  influence that he has had on many fields. Also included is the introduction by Middleton to his forthcoming book, which gives a wonderful view of the field of communication, its history and his own views on the field that he developed over the past 60 years. Focusing on classical noise modeling and applications, Classical, Semi-Classical and Quantum Noise includes coverage of statistical communication theory, non-stationary noise, molecular footprints, noise suppression, Quantum e...

MUSIC EDUCATION AND TASTE FORMING OF CLASSICAL MUSIC STYLE: CASE STUDY IN CULTURAL INSTITUTIONKARTA PUSTAKA YOGYAKARTA INDONESIA

Directory of Open Access Journals (Sweden)

Inggit Sitowati

2014-06-01

Full Text Available Karta Pustaka is one of the cultural institutions in Yogyakarta, which has a classical music concert program. The purpose of this study is to describe the history of Karta Pustaka and organizing classical music concerts, the concert format, and its role in supporting classical music education in Yogyakarta. The method used in this study is qualitative research with historical and musicological approach.The data are collected by using interviews, documents and observations. Data were analyzed using qualitative descriptions technicians. The results showed that Karta Pustaka as cultural institution has become a classical musicmedia which has a supporting role in classical music education in Yogyakarta. The classical music concert program and classical music workshop held by Karta Pustaka information and knowledge for the students and people of musical art in Yogyakarta. In addition Karta Pustaka also acts as a forming media and the development of consumer’s classical music tastes and styles in Yogyakarta.

Analysis of Electromagnetic Wave Propagation in a Magnetized Re-Entry Plasma Sheath Via the Kinetic Equation

Science.gov (United States)

Manning, Robert M.

2009-01-01

Based on a theoretical model of the propagation of electromagnetic waves through a hypersonically induced plasma, it has been demonstrated that the classical radiofrequency communications blackout that is experienced during atmospheric reentry can be mitigated through the appropriate control of an external magnetic field of nominal magnitude. The model is based on the kinetic equation treatment of Vlasov and involves an analytical solution for the electric and magnetic fields within the plasma allowing for a description of the attendant transmission, reflection and absorption coefficients. The ability to transmit through the magnetized plasma is due to the magnetic windows that are created within the plasma via the well-known whistler modes of propagation. The case of 2 GHz transmission through a re-entry plasma is considered. The coefficients are found to be highly sensitive to the prevailing electron density and will thus require a dynamic control mechanism to vary the magnetic field as the plasma evolves through the re-entry phase.

Application of Extreme Learning Machines to inverse neutron kinetics

International Nuclear Information System (INIS)

Picca, Paolo; Furfaro, Roberto

2017-01-01

Highlights: • The paper applies the Extreme Learning Machines (ELMs) to inverse reactor problems. • Multi-group transport model is used for the inversion as opposed to point kinetics. • ELMs are compared against Artificial Neural Networks (ANNs). • Various options are tested to improve the reliability of the estimation. • Results highlight the potential of the ELM approach. - Abstract: The paper presents the application of Extreme Leaning Machines (ELMs) for inverse reactor kinetic applications. ELMs were proposed by Huang and co-workers (2004, 2006a,b, 2015), which showed their enhances capabilities in terms of training speed and generalization with respect to classical Artificial Neural Networks (ANNs). ELMs are here implemented for reactivity determination as an alternative to ANNs (e.g. Picca et al. (2008)) and Gaussian Processes (Picca and Furfaro, 2012). After a review of the main features of ELMs, their application to inverse kinetic problems is proposed. The ELMs performance is tested on a typical accelerator drive system configuration (Yalina reactor) and the inversion is carried out on an accurate kinetic model (multi-group transport).

Kinetic Boltzmann, Vlasov and Related Equations

CERN Document Server

Sinitsyn, Alexander; Vedenyapin, Victor

2011-01-01

Boltzmann and Vlasov equations played a great role in the past and still play an important role in modern natural sciences, technique and even philosophy of science. Classical Boltzmann equation derived in 1872 became a cornerstone for the molecular-kinetic theory, the second law of thermodynamics (increasing entropy) and derivation of the basic hydrodynamic equations. After modifications, the fields and numbers of its applications have increased to include diluted gas, radiation, neutral particles transportation, atmosphere optics and nuclear reactor modelling. Vlasov equation was obtained in

Modeling the kinetics of volatilization from glass melts

NARCIS (Netherlands)

Beerkens, R.G.C.

2001-01-01

A model description for the evaporation kinetics from glass melts in direct contact with static atmospheres or flowing gas phases is presented. The derived models and equations are based on the solution of the second Ficks' diffusion law and quasi-steady-state mass transfer relations, taking into

Classical and macroquantum dynamics of charged particles in a magnetic field

International Nuclear Information System (INIS)

Varma, R.K.

2003-01-01

The investigations relating to the dynamics of charged particles in a magnetic field carried out over more than 40 years have been reviewed with special reference to the problem of nonadiabaticity due to field inhomogeneity, and time dependence. A detailed overview is presented of the standard approaches to one of the main problems namely the determination of the residence times of charged particles in an adiabatic magnetic trap which involves nonadiabaticity in a crucial way. In a major departure from the standard approach, a new paradigm described here as 'macroquantum dynamics' was advanced by the author to address the problem of residence times. The evolution and development of this new paradigm is next presented as the main focus of the review. This consists of a probability amplitude Schroedinger-like formalism for the classical macrodomain, which has been shown to be a description of the system in the correspondence limit of large Landau quantum numbers. It is demonstrated that this represents a remarkable persistence of matter wave behaviour well into the classical macrodomain, leading to unexpected experimental consequences. Experimental results confirming some of the spectacular predictions of this formalism are presented. These refer to the existence of macroscopic matter wave interference phenomena and the observation of the curl-free vector potential a la Aharonov-Bohm in the macrodomain. The problem of the nonadiabatic leakage of particles from an adiabatic trap takes the appearance here of the quantum-like tunneling of the adiabatic potential. The multiplicity of residence times predicted by the set of Schroedinger-like equations have been well confirmed by experiments. A critical comparison is finally presented of the classical vs. macroquantum description of the system in the macrodomain. The new paradigm thus represents an entirely new and unexpected manifestation of quantum dynamics in the classical macrodomain

A New Perspective on Classical Ideal Gases

Directory of Open Access Journals (Sweden)

Fabrice Philippe

2013-08-01

Full Text Available The ideal-gas barometric and pressure laws are derived from the Democritian concept of independent corpuscles moving in vacuum, plus a principle of simplicity, namely that these laws are independent of the kinetic part of the Hamiltonian. A single corpuscle in contact with a heat bath in a cylinder and submitted to a constant force (weight is considered. The paper importantly supplements a previously published paper: First, the stability of ideal gases is established. Second, we show that when walls separate the cylinder into parts and are later removed, the entropy is unaffected. We obtain full agreement with Landsberg’s and others’ (1994 classical thermodynamic result for the entropy of a column of gas submitted to gravity.

Description of classical and quantum interference in view of the concept of flow line

OpenAIRE

Davidovic, M.; Sanz, A. S.; Bozic, M.

2015-01-01

© 2015, Springer Science+Business Media New York. Bohmian mechanics, a hydrodynamic formulation of quantum mechanics, relies on the concept of trajectory, which evolves in time in compliance with dynamical information conveyed by the wave function. Here, this appealing idea is considered to analyze both classical and quantum interference, thus providing an alternative and more intuitive framework to understand the time evolution of waves either in terms of the flow of energy (for instance, fo...

Relativistic kinetic theory with applications in astrophysics and cosmology

CERN Document Server

Vereshchagin, Gregory V

2017-01-01

Relativistic kinetic theory has widespread application in astrophysics and cosmology. The interest has grown in recent years as experimentalists are now able to make reliable measurements on physical systems where relativistic effects are no longer negligible. This ambitious monograph is divided into three parts. It presents the basic ideas and concepts of this theory, equations and methods, including derivation of kinetic equations from the relativistic BBGKY hierarchy and discussion of the relation between kinetic and hydrodynamic levels of description. The second part introduces elements of computational physics with special emphasis on numerical integration of Boltzmann equations and related approaches, as well as multi-component hydrodynamics. The third part presents an overview of applications ranging from covariant theory of plasma response, thermalization of relativistic plasma, comptonization in static and moving media to kinetics of self-gravitating systems, cosmological structure formation and neut...

Hydrogen: Beyond the Classic Approximation

International Nuclear Information System (INIS)

Scivetti, Ivan

2003-01-01

The classical nucleus approximation is the most frequently used approach for the resolution of problems in condensed matter physics.However, there are systems in nature where it is necessary to introduce the nuclear degrees of freedom to obtain a correct description of the properties.Examples of this, are the systems with containing hydrogen.In this work, we have studied the resolution of the quantum nuclear problem for the particular case of the water molecule.The Hartree approximation has been used, i.e. we have considered that the nuclei are distinguishable particles.In addition, we have proposed a model to solve the tunneling process, which involves the resolution of the nuclear problem for configurations of the system away from its equilibrium position

Defining Nitrogen Kinetics for Air Break in Prebreath

Science.gov (United States)

Conkin, Johnny

2010-01-01

Actual tissue nitrogen (N2) kinetics are complex; the uptake and elimination is often approximated with a single half-time compartment in statistical descriptions of denitrogenation [prebreathe(PB)] protocols. Air breaks during PB complicate N2 kinetics. A comparison of symmetrical versus asymmetrical N2 kinetics was performed using the time to onset of hypobaric decompression sickness (DCS) as a surrogate for actual venous N2 tension. METHODS: Published results of 12 tests involving 179 hypobaric exposures in altitude chambers after PB, with and without airbreaks, provide the complex protocols from which to model N2 kinetics. DCS survival time for combined control and airbreaks were described with an accelerated log logistic model where N2 uptake and elimination before, during, and after the airbreak was computed with a simple exponential function or a function that changed half-time depending on ambient N2 partial pressure. P1N2-P2 = (Delta)P defined decompression dose for each altitude exposure, where P2 was the test altitude and P1N2 was computed N2 pressure at the beginning of the altitude exposure. RESULTS: The log likelihood (LL) without decompression dose (null model) was -155.6, and improved (best-fit) to -97.2 when dose was defined with a 240 min half-time for both N2 elimination and uptake during the PB. The description of DCS survival time was less precise with asymmetrical N2 kinetics, for example, LL was -98.9 with 240 min half-time elimination and 120 min half-time uptake. CONCLUSION: The statistical regression described survival time mechanistically linked to symmetrical N2 kinetics during PBs that also included airbreaks. The results are data-specific, and additional data may change the conclusion. The regression is useful to compute additional PB time to compensate for an airbreak in PB within the narrow range of tested conditions.

Defining Nitrogen Kinetics for Air Break in Prebreathe

Science.gov (United States)

Conkin, Johnny

2009-01-01

Actual tissue nitrogen (N2) kinetics are complex; the uptake and elimination is often approximated with a single half-time compartment in statistical descriptions of denitrogenation [prebreathe (PB)] protocols. Air breaks during PB complicate N2 kinetics. A comparison of symmetrical versus asymmetrical N2 kinetics was performed using the time to onset of hypobaric decompression sickness (DCS) as a surrogate for actual venous N2 tension. Published results of 12 tests involving 179 hypobaric exposures in altitude chambers after PB, with and without air breaks, provide the complex protocols from which to model N2 kinetics. DCS survival time for combined control and air breaks were described with an accelerated log logistic model where N2 uptake and elimination before, during, and after the air break was computed with a simple exponential function or a function that changed half-time depending on ambient N2 partial pressure. P1N2-P2 = delta P defined DCS dose for each altitude exposure, where P2 was the test altitude and P1N2 was computed N2 pressure at the beginning of the altitude exposure. The log likelihood (LL) without DCS dose (null model) was -155.6, and improved (best-fit) to -97.2 when dose was defined with a 240 min half-time for both N2 elimination and uptake during the PB. The description of DCS survival time was less precise with asymmetrical N2 kinetics, for example, LL was -98.9 with 240 min half-time elimination and 120 min half-time uptake. The statistical regression described survival time mechanistically linked to symmetrical N2 kinetics during PBs that also included air breaks. The results are data-specific, and additional data may change the conclusion. The regression is useful to compute additional PB time to compensate for an air break in PB within the narrow range of tested conditions.

Beyond the Cahn-Hilliard equation: a vacancy-based kinetic theory

International Nuclear Information System (INIS)

Nastar, M.

2011-01-01

A Self-Consistent Mean Field (SCMF) kinetic theory including an explicit description of the vacancy diffusion mechanism is developed. The present theory goes beyond the usual local equilibrium hypothesis. It is applied to the study of the early time spinodal decomposition in alloys. The resulting analytical expression of the structure function highlights the contribution of the vacancy diffusion mechanism. Instead of the single amplification rate of the Cahn-Hillard linear theory, the linearized SCMF kinetic equations involve three constant rates, first one describing the vacancy relaxation kinetics, second one related to the kinetic coupling between local concentrations and pair correlations and the third one representing the spinodal amplification rate. Starting from the same vacancy diffusion model, we perform kinetic Monte Carlo simulations of a Body Centered Cubic (BCC) demixting alloy. The resulting spherically averaged structure function is compared to the SCMF predictions. Both qualitative and quantitative agreements are satisfying. (authors)

Collective behaviours: from biochemical kinetics to electronic circuits

Science.gov (United States)

Agliari, Elena; Barra, Adriano; Burioni, Raffaella; di Biasio, Aldo; Uguzzoni, Guido

2013-12-01

In this work we aim to highlight a close analogy between cooperative behaviors in chemical kinetics and cybernetics; this is realized by using a common language for their description, that is mean-field statistical mechanics. First, we perform a one-to-one mapping between paradigmatic behaviors in chemical kinetics (i.e., non-cooperative, cooperative, ultra-sensitive, anti-cooperative) and in mean-field statistical mechanics (i.e., paramagnetic, high and low temperature ferromagnetic, anti-ferromagnetic). Interestingly, the statistical mechanics approach allows a unified, broad theory for all scenarios and, in particular, Michaelis-Menten, Hill and Adair equations are consistently recovered. This framework is then tested against experimental biological data with an overall excellent agreement. One step forward, we consistently read the whole mapping from a cybernetic perspective, highlighting deep structural analogies between the above-mentioned kinetics and fundamental bricks in electronics (i.e. operational amplifiers, flashes, flip-flops), so to build a clear bridge linking biochemical kinetics and cybernetics.

The impact of the eldritch city: Classical and alien urbanism in Lovecraft’s Mythos

OpenAIRE

Martinez Jimenez, Javier

2018-01-01

In the world of the Cthulhu Mythos ancient ruins and old towns (both human and alien) usually form an essential part of stories. These ancient constructions are usually depicted and explained by Lovecraft at length, and they give not only ambience to the narration but a background to the locations in which the story is set. Through the descriptions of these cities, various conclusions regarding Lovecraft’s use of classical urbanism and monumentality can be drawn. By looking at his description...

Classical field theory on electrodynamics, non-Abelian gauge theories and gravitation

CERN Document Server

Scheck, Florian

2012-01-01

The book describes Maxwell's equations first in their integral, directly testable form, then moves on to their local formulation. The first two chapters cover all essential properties of Maxwell's equations, including their symmetries and their covariance in a modern notation. Chapter 3 is devoted to Maxwell theory as a classical field theory and to solutions of the wave equation. Chapter 4 deals with important applications of Maxwell theory. It includes topical subjects such as metamaterials with negative refraction index and solutions of Helmholtz' equation in paraxial approximation relevant for the description of laser beams. Chapter 5 describes non-Abelian gauge theories from a classical, geometric point of view, in analogy to Maxwell theory as a prototype, and culminates in an application to the U(2) theory relevant for electroweak interactions. The last chapter 6 gives a concise summary of semi-Riemannian geometry as the framework for the classical field theory of gravitation. The chapter concludes wit...

Full-dimensional analytical potential energy surface describing the gas-phase Cl + C2H6 reaction and kinetics study of rate constants and kinetic isotope effects.

Science.gov (United States)

Rangel, Cipriano; Espinosa-Garcia, Joaquin

2018-02-07

Within the Born-Oppenheimer approximation a full-dimensional analytical potential energy surface, PES-2017, was developed for the gas-phase hydrogen abstraction reaction between the chlorine atom and ethane, which is a nine body system. This surface presents a valence-bond/molecular mechanics functional form dependent on 60 parameters and is fitted to high-level ab initio calculations. This reaction presents little exothermicity, -2.30 kcal mol -1 , with a low height barrier, 2.44 kcal mol -1 , and intermediate complexes in the entrance and exit channels. We found that the energetic description was strongly dependent on the ab initio level used and it presented a very flat topology in the entrance channel, which represents a theoretical challenge in the fitting process. In general, PES-2017 reproduces the ab initio information used as input, which is merely a test of self-consistency. As a first test of the quality of the PES-2017, a theoretical kinetics study was performed in the temperature range 200-1400 K using two approaches, i.e. the variational transition-state theory and quasi-classical trajectory calculations, with spin-orbit effects. The rate constants show reasonable agreement with experiments in the whole temperature range, with the largest differences at the lowest temperatures, and this behaviour agrees with previous theoretical studies, thus indicating the inherent difficulties in the theoretical simulation of the kinetics of the title reaction. Different sources of error were analysed, such as the limitations of the PES and theoretical methods, recrossing effects, and the tunnelling effect, which is negligible in this reaction, and the manner in which the spin-orbit effects were included in this non-relativistic study. We found that the variation of spin-orbit coupling along the reaction path, and the influence of the reactivity of the excited Cl( 2 P 1/2 ) state, have relative importance, but do not explain the whole discrepancy. Finally, the

Transient response of nonlinear polymer networks: A kinetic theory

Science.gov (United States)

Vernerey, Franck J.

2018-06-01

Dynamic networks are found in a majority of natural materials, but also in engineering materials, such as entangled polymers and physically cross-linked gels. Owing to their transient bond dynamics, these networks display a rich class of behaviors, from elasticity, rheology, self-healing, or growth. Although classical theories in rheology and mechanics have enabled us to characterize these materials, there is still a gap in our understanding on how individuals (i.e., the mechanics of each building blocks and its connection with others) affect the emerging response of the network. In this work, we introduce an alternative way to think about these networks from a statistical point of view. More specifically, a network is seen as a collection of individual polymer chains connected by weak bonds that can associate and dissociate over time. From the knowledge of these individual chains (elasticity, transient attachment, and detachment events), we construct a statistical description of the population and derive an evolution equation of their distribution based on applied deformation and their local interactions. We specifically concentrate on nonlinear elastic response that follows from the strain stiffening response of individual chains of finite size. Upon appropriate averaging operations and using a mean field approximation, we show that the distribution can be replaced by a so-called chain distribution tensor that is used to determine important macroscopic measures such as stress, energy storage and dissipation in the network. Prediction of the kinetic theory are then explored against known experimental measurement of polymer responses under uniaxial loading. It is found that even under the simplest assumptions of force-independent chain kinetics, the model is able to reproduce complex time-dependent behaviors of rubber and self-healing supramolecular polymers.

On the derivation of quasi-classical equations for superconductors or 3He

International Nuclear Information System (INIS)

Shelankov, A.L.

1984-11-01

We present a method for the derivation of the quasi-classical equations for Keldysh Green function of a superconductor or superfluid 3 He. It is shown that Green functions on the classical trajectories g(Y 1 ,Y 2 ) which depend on two trajectory coordinates y 1 and y 2 , give the full description of the system within quasi-classical accuracy. The equation of motion for g(y 1 ,y 2 ) is obtained. it is shown that g(y)=g(y+0,y)+g(y-0,y) is equal to the Green function in momentum space integrated with respect to xi=vsub(F)(p-psub(F)). The normalization condition (g(y)) 2 =1 is proved in a direct manner using the properties of g(y 1 ,y 2 ) with y 1 not=Y 2 . The different methods of introducing the distribution function are discussed. (orig.)

Quantum Anatomy of the Classical Interference of n-Photon States in a Mach-Zehnder Interferometer

International Nuclear Information System (INIS)

Ramírez-Cruz, N; Velázquez, V; Bastarrachea-Magnani, M A

2016-01-01

In this work we present the theory for the quantum interference of states with an arbitrary number of photons in a Mach-Zehnder interferometer. We express the mathematical description of the interference in an algebraic way. We show the interference pattern of an average of a n photons input state corresponds to the classical interference pattern, which tells us the last comes from a quantum interference statistical average. Then, we propose to use this scheme to study the statistical transition from quantum to classical interference. (paper)

Structural and kinetic basis for substrate selectivity in Populus tremuloides sinapyl alcohol dehydrogenase.

Science.gov (United States)

Bomati, Erin K; Noel, Joseph P

2005-05-01

We describe the three-dimensional structure of sinapyl alcohol dehydrogenase (SAD) from Populus tremuloides (aspen), a member of the NADP(H)-dependent dehydrogenase family that catalyzes the last reductive step in the formation of monolignols. The active site topology revealed by the crystal structure substantiates kinetic results indicating that SAD maintains highest specificity for the substrate sinapaldehyde. We also report substantial substrate inhibition kinetics for the SAD-catalyzed reduction of hydroxycinnamaldehydes. Although SAD and classical cinnamyl alcohol dehydrogenases (CADs) catalyze the same reaction and share some sequence identity, the active site topology of SAD is strikingly different from that predicted for classical CADs. Kinetic analyses of wild-type SAD and several active site mutants demonstrate the complexity of defining determinants of substrate specificity in these enzymes. These results, along with a phylogenetic analysis, support the inclusion of SAD in a plant alcohol dehydrogenase subfamily that includes cinnamaldehyde and benzaldehyde dehydrogenases. We used the SAD three-dimensional structure to model several of these SAD-like enzymes, and although their active site topologies largely mirror that of SAD, we describe a correlation between substrate specificity and amino acid substitution patterns in their active sites. The SAD structure thus provides a framework for understanding substrate specificity in this family of enzymes and for engineering new enzyme specificities.

'Swapna' in the Indian classics: Mythology or science?

Science.gov (United States)

Tendulkar, Sonali S; Dwivedi, R R

2010-04-01

There are many concepts in Ayurveda as well as the ancient sciences that are untouched or unexplored. One such concept is that of the Swapna (dreams). Being an abstract phenomenon it makes it difficult to be explained and understood; probably because of this the descriptions related to Swapna in the Indian classics are supported by mythology, to make them acceptable. Variations in these explanations are seen according to the objective of the school of thought; that is, in the ancient texts where dreams are used to delve into the knowledge of the Atman and are related to spirituality, its description in the Ayurvedic texts evolves around the Sharira and Manas. Although all these explanations seem to be shrouded in uncertainty and mythology; there definitely seems to be a logical and rational science behind these quotations. They only need research, investigation, and explanation on the basis of logic, and a laboratory.

From classical physics to quantum physics. An historically-critical deductive derivation with application examples from solid-state physics

International Nuclear Information System (INIS)

Enders, P.

2006-01-01

This book goes a novel way from classical physics to quantum physics. After the description of Euler's and Helmholtz's representations of classical mechanics the Schroedinger equation is derivated without making any additional assumptions about the nature of quantum mechanical systems. Thereby not the differences between but the common properties of classical and quantum mechanics are accentuated and four fundamental problems of the quantization named by Schroedinger are solved. Extensively to the historical literature is related. This book applies not only to students and scientists but also to teachers and historians of natural sciences: It contains many details which enter no more into modern presentations of classical mechanics, but are important for the understanding of quantum mechanics [de

Multi-scale kinetic description of granular clusters: invariance, balance, and temperature

Science.gov (United States)

Capriz, Gianfranco; Mariano, Paolo Maria

2017-12-01

We discuss a multi-scale continuum representation of bodies made of several mass particles flowing independently each other. From an invariance procedure and a nonstandard balance of inertial actions, we derive the balance equations introduced in earlier work directly in pointwise form, essentially on the basis of physical plausibility. In this way, we analyze their foundations. Then, we propose a Boltzmann-type equation for the distribution of kinetic energies within control volumes in space and indicate how such a distribution allows us to propose a definition of (granular) temperature along processes far from equilibrium.

Monitoring kinetic and frequency-domain properties of eyelid responses in mice with magnetic distance measurement technique

NARCIS (Netherlands)

W.L. den Ouden; G. Perry; S.M. Highstein; C.I. de Zeeuw (Chris); S.K.E. Koekkoek (Bas)

2002-01-01

textabstractClassical eye-blink conditioning in mutant mice can be used to study the molecular mechanisms underlying associative learning. To measure the kinetic and frequency domain properties of conditioned (tone - periorbital shock procedure) and unconditioned eyelid responses

Kinetic Scale Structure of Low-frequency Waves and Fluctuations

Energy Technology Data Exchange (ETDEWEB)

López, Rodrigo A.; Yoon, Peter H. [Institute for Physical Science and Technology, University of Maryland, College Park, MD 20742 (United States); Viñas, Adolfo F. [NASA Goddard Space Flight Center, Heliophysics Science Division, Geospace Physics Laboratory, Mail Code 673, Greenbelt, MD 20771 (United States); Araneda, Jaime A., E-mail: rlopezh@umd.edu, E-mail: yoonp@umd.edu [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Concepción, Concepción (Chile)

2017-08-10

The dissipation of solar wind turbulence at kinetic scales is believed to be important for the heating of the corona and for accelerating the wind. The linear Vlasov kinetic theory is a useful tool for identifying various wave modes, including kinetic Alfvén, fast magnetosonic/whistler, and ion-acoustic (or kinetic slow), and their possible roles in the dissipation. However, the kinetic mode structure in the vicinity of ion-cyclotron modes is not clearly understood. The present paper aims to further elucidate the structure of these low-frequency waves by introducing discrete particle effects through hybrid simulations and Klimontovich formalism of spontaneous emission theory. The theory and simulation of spontaneously emitted low-frequency fluctuations are employed to identify and distinguish the detailed mode structures associated with ion-Bernstein modes versus quasi-modes. The spontaneous emission theory and simulation also confirm the findings of the Vlasov theory in that the kinetic Alfvén waves can be defined over a wide range of frequencies, including the proton cyclotron frequency and its harmonics, especially for high-beta plasmas. This implies that these low-frequency modes may play predominant roles even in the fully kinetic description of kinetic scale turbulence and dissipation despite the fact that cyclotron harmonic and Bernstein modes may also play important roles in wave–particle interactions.

Classic-Ada(TM)

Science.gov (United States)

Valley, Lois

1989-01-01

The SPS product, Classic-Ada, is a software tool that supports object-oriented Ada programming with powerful inheritance and dynamic binding. Object Oriented Design (OOD) is an easy, natural development paradigm, but it is not supported by Ada. Following the DOD Ada mandate, SPS developed Classic-Ada to provide a tool which supports OOD and implements code in Ada. It consists of a design language, a code generator and a toolset. As a design language, Classic-Ada supports the object-oriented principles of information hiding, data abstraction, dynamic binding, and inheritance. It also supports natural reuse and incremental development through inheritance, code factoring, and Ada, Classic-Ada, dynamic binding and static binding in the same program. Only nine new constructs were added to Ada to provide object-oriented design capabilities. The Classic-Ada code generator translates user application code into fully compliant, ready-to-run, standard Ada. The Classic-Ada toolset is fully supported by SPS and consists of an object generator, a builder, a dictionary manager, and a reporter. Demonstrations of Classic-Ada and the Classic-Ada Browser were given at the workshop.

Fine kinetics of natural physical ageing in glassy As{sub 10}Se{sub 90}

Energy Technology Data Exchange (ETDEWEB)

Balitska, V. [Institute of Materials, Scientific Research Company “Carat”, 202 Stryjska Str., 79031 Lviv (Ukraine); Lviv State University of Vital Activity Safety, 35, Kleparivska Str., Lviv 79007 (Ukraine); Golovchak, R. [Department of Physics and Astronomy, Austin Peay State University, Clarksville, TN 37044 (United States); Kozdras, A. [Faculty of Physics of Opole Technical University, 75, Ozimska Str., Opole 45370 (Poland); Shpotyuk, O., E-mail: shpotyuk@novas.lviv.ua [Institute of Materials, Scientific Research Company “Carat”, 202 Stryjska Str., 79031 Lviv (Ukraine); Institute of Physics, Jan Dlugosz University, Al. Armii Krajowej 13/15, Czestochowa 42201 (Poland)

2014-02-01

Sigmoid behavior of natural physical ageing in glassy As{sub 10}Se{sub 90} reveals multi-step-wise growing kinetics of enthalpy losses. Phenomenological description of this kinetics can be adequately developed in terms of first-order relaxation processes, tending atomic structure from initial towards more thermodynamically equilibrium state. This kinetics is shown to obey characteristic stretched exponential behavior originated from a number of growing steps, attributed to the interconnected processes of chalcogen chain alignment and cooperative shrinkage of glass network.

Kinetics of nitrate adsorption and reduction by nano-scale zero valent iron (NZVI): Effect of ionic strength and initial pH

DEFF Research Database (Denmark)

Kim, Do-Gun; Hwang, Yuhoon; Shin, Hang-Sik

2016-01-01

Kinetic models for pollutants reduction by Nano-scale Zero Valent Iron (NZVI) were tested in this study to gain a better understanding and description of the reaction. Adsorption kinetic models and a heterogeneous catalytic reaction kinetic equation were proposed for nitrate removal and for ammon...

Stochastic simulations of conditional states of partially observed systems, quantum and classical

International Nuclear Information System (INIS)

Gambetta, Jay; Wiseman, H M

2005-01-01

In a partially observed quantum or classical system the information that we cannot access results in our description of the system becoming mixed, even if we have perfect initial knowledge. That is, if the system is quantum the conditional state will be given by a state matrix ρ r (t), and if classical, the conditional state will be given by a probability distribution P r (x,t), where r is the result of the measurement. Thus to determine the evolution of this conditional state, under continuous-in-time monitoring, requires a numerically expensive calculation. In this paper we demonstrate a numerical technique based on linear measurement theory that allows us to determine the conditional state using only pure states. That is, our technique reduces the problem size by a factor of N, the number of basis states for the system. Furthermore we show that our method can be applied to joint classical and quantum systems such as arise in modelling realistic (finite bandwidth, noisy) measurement

Loire Classics: Reviving Classicism in some Loire Poets

Directory of Open Access Journals (Sweden)

Wim Verbaal

2017-06-01

Full Text Available The term 'Loire poets' has come to refer to a rather undefinable group of poets that in the second half of the eleventh century distinguishes itself through its refined poetics. They are often characterized as medieval humanists thanks to their renewed interest in the classics. Sometimes their movement is labelled a 'classicist' one. But what does this 'classicism' mean? Is it even permitted to speak of medieval 'classicisms'? This contribution approaches the question of whether we can apply this modern label to pre-modern phenomena. Moreover, it explores the changes in attitude towards the classics that sets the Loire poets off from their predecessors and contemporaries. The article focuses on poems by Hildebert of Lavardin, Baudri of Bourgueil, Marbod of Rennes, and Geoffrey of Reims. They are compared with some contemporary poets, such as Reginald of Canterbury and Sigebert of Gembloux.

Quantum gravity from descriptive set theory

International Nuclear Information System (INIS)

El Naschie, M.S.

2004-01-01

We start from Hilbert's criticism of the axioms of classical geometry and the possibility of abandoning the Archimedean axiom. Subsequently we proceed to the physical possibility of a fundamental limitation on the smallest length connected to certain singular points in spacetime and below which measurements become meaningless, Finally we arrive at the conclusion that maximising the Hawking-Bekenstein informational content of spacetime makes the existence of a transfinite geometry for physical 'spacetime' not only plausible but probably inevitable. The main part of the paper is then concerned with a proposal for a mathematical description of a transfinite, non-Archimedean geometry using descriptive set theory. Nevertheless, and despite all abstract mathematics, we remain quite close to similar lines of investigation initiated by physicists like A. Wheeler, D. Finkelstein and G. 'tHooft. In particular we introduce a logarithmic gauge transformation linking classical gravity with the electro weak via a version of informational entropy. That way we may claim to have accomplished an important step towards a general theory of quantum gravity using ε (∞) and complexity theory and finding that α G =(2) α-bar ew -1 congruent with (1.7)(10) 38 where α G is the dimensionless Newton gravity constant, and α ew ≅128 is the fine structure constant at the electro weak scale

Regular black holes from semi-classical down to Planckian size

Science.gov (United States)

Spallucci, Euro; Smailagic, Anais

In this paper, we review various models of curvature singularity free black holes (BHs). In the first part of the review, we describe semi-classical solutions of the Einstein equations which, however, contains a “quantum” input through the matter source. We start by reviewing the early model by Bardeen where the metric is regularized by-hand through a short-distance cutoff, which is justified in terms of nonlinear electro-dynamical effects. This toy-model is useful to point-out the common features shared by all regular semi-classical black holes. Then, we solve Einstein equations with a Gaussian source encoding the quantum spread of an elementary particle. We identify, the a priori arbitrary, Gaussian width with the Compton wavelength of the quantum particle. This Compton-Gauss model leads to the estimate of a terminal density that a gravitationally collapsed object can achieve. We identify this density to be the Planck density, and reformulate the Gaussian model assuming this as its peak density. All these models, are physically reliable as long as the BH mass is big enough with respect to the Planck mass. In the truly Planckian regime, the semi-classical approximation breaks down. In this case, a fully quantum BH description is needed. In the last part of this paper, we propose a nongeometrical quantum model of Planckian BHs implementing the Holographic Principle and realizing the “classicalization” scenario recently introduced by Dvali and collaborators. The classical relation between the mass and radius of the BH emerges only in the classical limit, far away from the Planck scale.

Classical antiparticles

International Nuclear Information System (INIS)

Costella, J.P.; McKellar, B.H.J.; Rawlinson, A.A.

1997-03-01

We review how antiparticles may be introduced in classical relativistic mechanics, and emphasize that many of their paradoxical properties can be more transparently understood in the classical than in the quantum domain. (authors)

Kinetic energy principle and neoclassical toroidal torque in tokamaks

International Nuclear Information System (INIS)

Park, Jong-Kyu

2011-01-01

It is shown that when tokamaks are perturbed, the kinetic energy principle is closely related to the neoclassical toroidal torque by the action invariance of particles. Especially when tokamaks are perturbed from scalar pressure equilibria, the imaginary part of the potential energy in the kinetic energy principle is equivalent to the toroidal torque by the neoclassical toroidal viscosity. A unified description therefore should be made for both physics. It is also shown in this case that the potential energy operator can be self-adjoint and thus the stability calculation can be simplified by minimizing the potential energy.

Survival of classical models in Bartolomeo Facio's description of battles. Some considerations

Directory of Open Access Journals (Sweden)

Giancarlo Abbamonte

2011-04-01

Full Text Available Facio's work, entitled Rerum gestarum Alphonsi regis libri decem, mainly describes the conquest of the Kingdom of Naples by the Aragonese king Alphonso the Magnanimous. However, the historical events are not only narrated on the basis of contemporary documents, but they are also shaped according to the various patterns provided by classical authors. Thus, in Alphonso's speech to the troops we can find a direct quotation of Cicero, or in Facio's preface there is a blend of arguments taken from Livy's praefatio and Cicero's well-known opinion on Caesar's style. Finally, in the episode on the siege of Gerba and the return of the fleet to Trapani, Facio depicts Alphonso's Tunisian enemies as if they were old Carthaginians, whilst the forced stop of the Aragonese fleet in Trapani allows the historian to establish a wisely disguised comparison with Aeneas' stop at Trapani/Drepanum in the 5th book of the Aeneid.

Classical and quantum dynamics of a perfect fluid scalar-metric cosmology

International Nuclear Information System (INIS)

Vakili, Babak

2010-01-01

We study the classical and quantum models of a Friedmann-Robertson-Walker (FRW) cosmology, coupled to a perfect fluid, in the context of the scalar-metric gravity. Using the Schutz' representation for the perfect fluid, we show that, under a particular gauge choice, it may lead to the identification of a time parameter for the corresponding dynamical system. It is shown that the evolution of the universe based on the classical cosmology represents a late time power law expansion coming from a big-bang singularity in which the scale factor goes to zero while the scalar field blows up. Moreover, this formalism gives rise to a Schroedinger-Wheeler-DeWitt (SWD) equation for the quantum-mechanical description of the model under consideration, the eigenfunctions of which can be used to construct the wave function of the universe. We use the resulting wave function in order to investigate the possibility of the avoidance of classical singularities due to quantum effects by means of the many-worlds and ontological interpretation of quantum cosmology.

Data Description of a System

Directory of Open Access Journals (Sweden)

P. Nevriva

1996-04-01

Full Text Available In this paper, a brief discussion on description of process by memorized data is given. The insight into the problem can offer modified views on optimal control, on data compression at communication systems with respect to information content of message, etc.The idea of process description by memorized data with different information content will be presented here on the classical case study of optimal control: the data based control algorithm (data algorithm, DA gathers data from the controlled process and derives control signal (control from data accumulated in the data base. The implementation of the DA on the ideal computer which is not limited by its speed or capacity of memory is expected for simplicity. Accuracy of the data algorithm is then given by a-priori knowledge of the task and by information exchange between the controlled process and the computer.

Update on Anion Resin Kinetic Impairment in PWR Polishers Using ETA

International Nuclear Information System (INIS)

Carlin, William

2012-09-01

The paper is an update on the investigation of experiences with impaired anion kinetics in PWRs using ETA. 17 years worth of circumstantial evidence has led to the development of a new resin to mitigate the anion kinetic impairment issue with PWRs using ETA. A test bed was installed at Diablo Canyon Unit 1. After 1.5 years of service, the SO 4 MTC of the anion resin in the test bed is still >2.0 x10 -4 m/s (like new resin). Other resin beds operating under parallel conditions in the same unit have experienced kinetic impairment which follows the classic pattern seen in plants where ETA is used. Although the exact pathway of the ETA fouling mechanism is still not proven, the circumstantial evidence collected over many years, and a new theory on the fouling mechanism will also be presented and discussed. (authors)

Instabilities and chaos in a kinetic equation for active nematics

International Nuclear Information System (INIS)

Shi, Xia-qing; Ma, Yu-qiang; Chaté, Hugues

2014-01-01

We study dry active nematics at the kinetic equation level, stressing the differences with the well-known Doi theory for non-active rods near thermal equilibrium. By deriving hydrodynamic equations from the kinetic equation, we show analytically that these two description levels share the same qualitative phase diagram, as defined by the linear instability limits of spatially-homogeneous solutions. In particular, we show that the ordered, homogeneous state is unstable in a region bordering the linear onset of nematic order, and is only linearly stable deeper in the ordered phase. Direct simulations of the kinetic equation reveal that its solutions are chaotic in the region of linear instability of the ordered homogeneous state. The local mechanisms for this large-scale chaos are discussed. (paper)

Correlation of thermodynamics and grain growth kinetics in nanocrystalline metals

International Nuclear Information System (INIS)

Song Xiaoyan; Zhang Jiuxing; Li Lingmei; Yang Keyong; Liu Guoquan

2006-01-01

We investigated the correlation of thermodynamics and grain growth kinetics of nanocrystalline metals both theoretically and experimentally. A model was developed to describe the thermodynamic properties of nanograin boundaries, which could give reliable predictions in the destabilization characteristics of nanograin structures and the slowing down of grain growth kinetics at a constant temperature. Both the temperature-varying and isothermal nanograin growth behaviors in pure nanocrystalline Co were studied to verify the thermodynamic predictions. The experimental results showing that discontinuous nanograin growth takes place at a certain temperature and grain growth rate decreases monotonically with time confirm our thermodynamics-based description of nanograin growth characteristics. Therefore, we propose a thermodynamic viewpoint to explain the deviation of grain growth kinetics in nanocrystalline metals from those of polycrystalline materials

Hybrid quantum-classical modeling of quantum dot devices

Science.gov (United States)

Kantner, Markus; Mittnenzweig, Markus; Koprucki, Thomas

2017-11-01

The design of electrically driven quantum dot devices for quantum optical applications asks for modeling approaches combining classical device physics with quantum mechanics. We connect the well-established fields of semiclassical semiconductor transport theory and the theory of open quantum systems to meet this requirement. By coupling the van Roosbroeck system with a quantum master equation in Lindblad form, we introduce a new hybrid quantum-classical modeling approach, which provides a comprehensive description of quantum dot devices on multiple scales: it enables the calculation of quantum optical figures of merit and the spatially resolved simulation of the current flow in realistic semiconductor device geometries in a unified way. We construct the interface between both theories in such a way, that the resulting hybrid system obeys the fundamental axioms of (non)equilibrium thermodynamics. We show that our approach guarantees the conservation of charge, consistency with the thermodynamic equilibrium and the second law of thermodynamics. The feasibility of the approach is demonstrated by numerical simulations of an electrically driven single-photon source based on a single quantum dot in the stationary and transient operation regime.

Luminescence kinetics of porous silicon: fluctuation approach

CERN Document Server

Bondarev, V N

2001-01-01

Theoretical interpretation of the kinetics of the photoluminescence (PL), caused by the tunnel radiative recombination of the photoexcited electron and hole, localized on the crystallite/matrix interface, is given on the basis of the notions on the porous silicon structure as an incidental totality of the Si nanodimensional crystallites, submerged into the SiO sub 2 matrix. The relatively slow (by the stretched exponential type) time drop in the PL intensity is the results of averaging the intensity in each PL elementary act by the electron and hole mutual disposition and by the crystallite dimensions. The good quantitative description of the low-temperature experiments may be obtained through the proposed approach both by the PL kinetics and time evolution of the porous silicon PL spectrum

Classical swine fever virus infection modulates serum levels of INF-α, IL-8 and TNF-α in 6-month-old pigs

DEFF Research Database (Denmark)

von Rosen, Tanya; Lohse, Louise; Nielsen, Jens

2013-01-01

Several studies have highlighted the important role of cytokines in disease development of classical swine fever virus (CSFV) infection. In the present study, we examined the kinetics of 7 porcine cytokines in serum from pigs infected with 3 different CSFV strains. Based on the clinical picture i...

Kinetics of excited levels in copper-vapor laser

International Nuclear Information System (INIS)

Smilanski, I.

1981-10-01

A full and representative description of the excited copper level kinetics in a copper-vapor laser is presented. The research was carried out in three stages. The first stage was the development of a representative and reliable measurement cell. A laser tube constructed of refractory materials and an excitation circuit which provides short pulses at a high repetition rate to heat the tube and excite the copper atoms were developed. This stage was also dedicated to characterizing the laser and studying its scaling laws. In the second stage a rapid neasuring system which avoids the problem of spectral line shape was developed. The system is based on the 'hook' method, which utilizes the anomalous dispersion in the vicinity of an atomic line. The light source, a wide band nitrogen-laser-pumped dye laser, ensures a short sampling time, and the recording system, with a television camera face as the recording medium, allows precise data reduction. In the third stage the excited copper level kinetics in a copper vapor laser is measured. The principal conclusions, that only a small part of the energy in the discharge is utilized to populate the upper laser levels and that the lower laser level population is very large at the end of the excitation pulse and cannot be attributed to relaxation of the upper levels, necessitate a new kinetic description of the copper-vapor laser. The laser is not self-terminating; it is activated and terminated by the electrical discharge

Superposition approach for description of electrical conductivity in sheared MWNT/polycarbonate melts

Directory of Open Access Journals (Sweden)

M. Saphiannikova

2012-06-01

Full Text Available The theoretical description of electrical properties of polymer melts, filled with attractively interacting conductive particles, represents a great challenge. Such filler particles tend to build a network-like structure which is very fragile and can be easily broken in a shear flow with shear rates of about 1 s–1. In this study, measured shear-induced changes in electrical conductivity of polymer composites are described using a superposition approach, in which the filler particles are separated into a highly conductive percolating and low conductive non-percolating phases. The latter is represented by separated well-dispersed filler particles. It is assumed that these phases determine the effective electrical properties of composites through a type of mixing rule involving the phase volume fractions. The conductivity of the percolating phase is described with the help of classical percolation theory, while the conductivity of non-percolating phase is given by the matrix conductivity enhanced by the presence of separate filler particles. The percolation theory is coupled with a kinetic equation for a scalar structural parameter which describes the current state of filler network under particular flow conditions. The superposition approach is applied to transient shear experiments carried out on polycarbonate composites filled with multi-wall carbon nanotubes.

Resonance transport and kinetic entropy

International Nuclear Information System (INIS)

Ivanov, Yu.B.; Knoll, J.; Voskresensky, D.N.

2000-01-01

We continue the description of the dynamics of unstable particles within the real-time formulation of nonequilibrium field theory initiated in a previous paper . There we suggest to use Baym's PHI-functional method in order to achieve approximation schemes with 'built in' consistency with respect to conservation laws and thermodynamics even in the case of particles with finite damping width. Starting from Kadanoff-Baym equations we discuss a consistent first order gradient approach to transport which preserves the PHI-derivable properties. The validity conditions for the resulting quantum four-phase-space kinetic theory are discussed under the perspective to treat particles with broad damping widths. This non-equilibrium dynamics naturally includes all those quantum features already inherent in the corresponding equilibrium limit (e.g. Matsubara formalism) at the same level of PHI-derivable approximation. Various collision-term diagrams are discussed including those of higher order which lead to memory effects. As an important novel part we derive a generalized nonequilibrium expression for the kinetic entropy flow, which includes contributions from fluctuations and mass-width effects. In special cases an H-theorem is derived implying that the entropy can only increase with time. Memory effects in the kinetic terms provide contributions to the kinetic entropy flow that in the equilibrium limit recover the famous bosonic type T 3 lnT correction to the specific heat in the case of Fermi liquids like Helium-3

Minding one's P's and Q's: From the one loop effective action in quantum field theory to classical transport theory

International Nuclear Information System (INIS)

Jalilian-Marian, Jamal; Jeon, Sangyong; Venugopalan, Raju; Wirstam, Jens

2000-01-01

The one loop effective action in quantum field theory can be expressed as a quantum mechanical path integral over world lines, with internal symmetries represented by Grassmanian variables. In this paper, we develop a real time, many body, world line formalism for the one loop effective action. In particular, we study hot QCD and obtain the classical transport equations which, as Litim and Manuel have shown, reduce in the appropriate limit to the non-Abelian Boltzmann-Langevin equation first obtained by Boedeker. In the Vlasov limit, the classical kinetic equations are those that correspond to the hard thermal loop effective action. We also discuss the imaginary time world line formalism for a hot φ 4 theory, and elucidate its relation to classical transport theory. (c) 2000 The American Physical Society

An in-depth description of bipolar resistive switching in Cu/HfOx/Pt devices, a 3D kinetic Monte Carlo simulation approach

Science.gov (United States)

Aldana, S.; Roldán, J. B.; García-Fernández, P.; Suñe, J.; Romero-Zaliz, R.; Jiménez-Molinos, F.; Long, S.; Gómez-Campos, F.; Liu, M.

2018-04-01

A simulation tool based on a 3D kinetic Monte Carlo algorithm has been employed to analyse bipolar conductive bridge RAMs fabricated with Cu/HfOx/Pt stacks. Resistive switching mechanisms are described accounting for the electric field and temperature distributions within the dielectric. The formation and destruction of conductive filaments (CFs) are analysed taking into consideration redox reactions and the joint action of metal ion thermal diffusion and electric field induced drift. Filamentary conduction is considered when different percolation paths are formed in addition to other conventional transport mechanisms in dielectrics. The simulator was tuned by using the experimental data for Cu/HfOx/Pt bipolar devices that were fabricated. Our simulation tool allows for the study of different experimental results, in particular, the current variations due to the electric field changes between the filament tip and the electrode in the High Resistance State. In addition, the density of metallic atoms within the CF can also be characterized along with the corresponding CF resistance description.

Fractional neutron point kinetics equations for nuclear reactor dynamics

International Nuclear Information System (INIS)

Espinosa-Paredes, Gilberto; Polo-Labarrios, Marco-A.; Espinosa-Martinez, Erick-G.; Valle-Gallegos, Edmundo del

2011-01-01

The fractional point-neutron kinetics model for the dynamic behavior in a nuclear reactor is derived and analyzed in this paper. The fractional model retains the main dynamic characteristics of the neutron motion in which the relaxation time associated with a rapid variation in the neutron flux contains a fractional order, acting as exponent of the relaxation time, to obtain the best representation of a nuclear reactor dynamics. The physical interpretation of the fractional order is related with non-Fickian effects from the neutron diffusion equation point of view. The numerical approximation to the solution of the fractional neutron point kinetics model, which can be represented as a multi-term high-order linear fractional differential equation, is calculated by reducing the problem to a system of ordinary and fractional differential equations. The numerical stability of the fractional scheme is investigated in this work. Results for neutron dynamic behavior for both positive and negative reactivity and for different values of fractional order are shown and compared with the classic neutron point kinetic equations. Additionally, a related review with the neutron point kinetics equations is presented, which encompasses papers written in English about this research topic (as well as some books and technical reports) published since 1940 up to 2010.

Description of the CAREM Reactor Neutronic Calculation Codes

International Nuclear Information System (INIS)

Villarino, Eduardo; Hergenreder, Daniel

2000-01-01

In this work is described the neutronic calculation line used to design the CAREM reactor.A description of the codes used and the interfaces between the different programs are presented.Both, the normal calculation line and the alternative or verification calculation line are included.The calculation line used to obtain the kinetics parameters (effective delayed-neutron fraction and prompt-neutron lifetime) is also included

Ordering in classical Coulombic systems

International Nuclear Information System (INIS)

Schiffer, J. P.

1998-01-01

The author discusses the properties of classical Coulombic matter at low temperatures. It has been well known for some time [1,2] that infinite Coulombic matter will crystallize in body-centered cubic form when the quantity Λ (the dimensionless ratio of the average two-particle Coulomb energy to the kinetic energy per particle) is larger than approximately175. But the systems of such particles that have been produced in the laboratory in ion traps, or ion beams, are finite with surfaces defined by the boundary conditions that have to be satisfied. This results in ion clouds with sharply defined curved surfaces, and interior structures that show up as a set of concentric layers that are parallel to the outer surface. The ordering does not appear to be cubic, but the charges on each shell exhibit a ''hexatic'' pattern of equilateral triangles that is the characteristic of liquid crystals. The curvature of the surfaces prevents the structures on successive shells from interlocking in any simple fashion. This class of structures was first found in simulations [3] and later in experiments [4

Deviation from the kinetic law of mass action for reactions induced by binary encounters in liquid solutions

International Nuclear Information System (INIS)

Doktorov, Alexander B; Kipriyanov, Alexey A

2007-01-01

In considering the irreversible chemical reaction A+B→ C+B in liquid solutions two many-particle approaches to the derivation of binary non-Markovian kinetic equations are compared: simple superposition decoupling and a method of extracting 'pair' channels from three-particle correlation evolution. It is shown that both methods provide an almost identical description of this reaction. However, in studies of reversible reactions in liquid solutions only the channel extraction method gives a correct physically clear description of the reaction though it consists of a sequence of steps: the development of integral encounter theory (IET), effective pairs approximation (EPA), modified encounter theory (MET), and the final regular form (RF) of kinetic equations. It is shown that the rate equations often encountered in the literature correspond to the independence of transient channels of 'scattering' in the bimolecular reversible reaction (A+B -B), while the independent transient channel of 'decay' in the reversible reactionA+B -C is defined solely by time integral convolution. In the general case transient channels in non-Markovian theory are not independent, and their interference manifests itself as a non-Markovian inhomogeneous source in binary non-Markovian kinetic equations in regular form. Based on the derived equations new universal kinetics (independent of models) of chemical equilibrium attainment have been obtained. It is shown that these kinetics can differ essentially from the kinetics corresponding to the kinetic law of mass action of formal chemical kinetics

Deduction of kinetic mechanism in multisubstrate enzyme reactions from tritium isotope effects. Application to dopamine beta-hydroxylase

International Nuclear Information System (INIS)

Klinman, J.P.; Humphries, H.; Voet, J.G.

1980-01-01

Primary tritium isotope effects have been measured for the hydroxylation of [2-3H] dopamine catalyzed by dopamine beta-hydroxylase. Experimental values vary from 8.8 +/- 1.4 at 0.02 mM oxygen to 4.1 +/- 0.6 at 1.0 mM oxygen. It is shown that the observed dependence of the isotope effect on oxygen concentration provides unequivocal evidence for a kinetically significant dissociation of both dopamine and oxygen from enzyme, ternary complex. This approach, which is applicable to any multisubstrate enzyme characterized by detectable kinetic isotope effects, provides an alternate to classical methods for the elucidation of kinetic order in enzyme-catalyzed reactions

Summary of the LLNL one-dimensional transport-kinetics model of the troposphere and stratosphere: 1981

International Nuclear Information System (INIS)

Wuebbles, D.J.

1981-09-01

Since the LLNL one-dimensional coupled transport and chemical kinetics model of the troposphere and stratosphere was originally developed in 1972 (Chang et al., 1974), there have been many changes to the model's representation of atmospheric physical and chemical processes. A brief description is given of the current LLNL one-dimensional coupled transport and chemical kinetics model of the troposphere and stratosphere

CLASSICAL AND NON-CLASSICAL PHILOSOPHICAL ANTHROPOLOGY: COMPARATIVE ANALYSIS

Directory of Open Access Journals (Sweden)

T. A. Kozlova

2018-01-01

Full Text Available Introduction: The goals and values of human life, the search for the meaning of human existence contain the potential for a meaningful, progressive development of philosophical and anthropological ideas at any time in history. One of the tasks of philosophical anthropology is the formation of the image of man, the choice of ways to achieve the ideal, the methods of comprehension and resolution of universal problems. The increasing processes of differentiation in science led to the formation of different views on the nature of man, to the distinction between classical and non-classical philosophical anthropology. А comparative analysis of these trends is given in this article.Materials and methods: The dialectical method is preferred in the question of research methodology, the hermeneutic and phenomenological approaches are used.Results: The development of philosophical anthropology correlates with the challenges of modernity. By tracking the trends of human change, philosophical anthropology changes the approach to the consideration of its main subject of research. The whole array of disciplines that study man comes to new discoveries, new theories, and philosophical anthropology changes its view of the vision, challenging the principles of classical philosophical anthropology.Classical philosophical anthropology elevates the biological nature of man to a pedestal, non-classical philosophical anthropology actualizes questions of language, culture, thinking, understanding, actualizes the hermeneutic and phenomenological approaches. The desire to understand a person in classical philosophical anthropology is based on the desire to fully reveal the biological mechanisms in a person. The perspective of treating a person in nonclassical philosophical anthropology is polyformen: man as a text, as a dreaming self, as an eternal transition. Non-classical philosophical anthropology, goes from the idea of identity to the idea of variability, from

The Wigner representation of classical mechanics, quantization and classical limit

Energy Technology Data Exchange (ETDEWEB)

Bolivar, A.O. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)

2001-08-01

Starting from the Liouvillian formulation of classical physics it is possible by means of a Fourier transform to introduce the Wigner representation and to derive an operator structure to classical mechanisms. The importance of this new representation lies on the fact that it turns out to be suitable route to establish a general method of quantization directly from the equations of motion without alluding to the existence of Hamiltonian and Lagrangian functions. Following this approach we quantize only the motion of a Browian particle with non-linear friction in the Markovian approximation - the thermal bath may be quantum or classical -, thus when the bath is classically described we obtain a master equation which reduces to Caldeira-Legget equation for the linear friction case, and when the reservoir is quantum we get an equation reducing to the one found by Caldeira et al. By neglecting the environmental influence we show that the system can be approximately described by equations of motion in terms of wave function, such as the Schrodinger-Langevin equation and equations of the Caldirola-Kanai type. Finally to make the present study self-consistent we evaluate the classical limit of these dynamical equations employing a new classical limiting method h/2{pi} {yields} 0. (author)

The Wigner representation of classical mechanics, quantization and classical limit

International Nuclear Information System (INIS)

Bolivar, A.O.

2001-08-01

Starting from the Liouvillian formulation of classical physics it is possible by means of a Fourier transform to introduce the Wigner representation and to derive an operator structure to classical mechanisms. The importance of this new representation lies on the fact that it turns out to be suitable route to establish a general method of quantization directly from the equations of motion without alluding to the existence of Hamiltonian and Lagrangian functions. Following this approach we quantize only the motion of a Browian particle with non-linear friction in the Markovian approximation - the thermal bath may be quantum or classical -, thus when the bath is classically described we obtain a master equation which reduces to Caldeira-Legget equation for the linear friction case, and when the reservoir is quantum we get an equation reducing to the one found by Caldeira et al. By neglecting the environmental influence we show that the system can be approximately described by equations of motion in terms of wave function, such as the Schrodinger-Langevin equation and equations of the Caldirola-Kanai type. Finally to make the present study self-consistent we evaluate the classical limit of these dynamical equations employing a new classical limiting method h/2π → 0. (author)

Hypovalency--a kinetic-energy density description of a 4c-2e bond.

Science.gov (United States)

Jacobsen, Heiko

2009-06-07

A bond descriptor based on the kinetic energy density, the localized-orbital locator (LOL), is used to characterize the nature of the chemical bond in electron deficient multi-center bonds. The boranes B(2)H(6), B(4)H(4), B(4)H(10), [B(6)H(6)](2-), and [B(6)H(7)](-) serve as prototypical examples of hypovalent 3c-2e and 4c-2e bonding. The kinetic energy density is derived from a set of Kohn-Sham orbitals obtained from pure density functional calculations (PBE/TZVP), and the topology of LOL is analyzed in terms of (3,-3) attractors (Gamma). The B-B-B and B-H-B 3c-2e, and the B-B-H-B 4c-2e bonding situations are defined by their own characteristic LOL profiles. The presence of one attractor in relation to the three or four atoms that are engaged in electron deficient bonding provides sufficient indication of the type of 3c-2e or 4c-2e bond present. For the 4c-2e bond in [B(6)H(7)](-) the LOL analysis is compared to results from an experimental QTAIM study.

Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System: Modeling Ion Outflow

Science.gov (United States)

Schunk, R. W.; Barakat, A. R.; Eccles, V.; Karimabadi, H.; Omelchenko, Y.; Khazanov, G. V.; Glocer, A.; Kistler, L. M.

2014-12-01

A Kinetic Framework for the Magnetosphere-Ionosphere-Plasmasphere-Polar Wind System is being developed in order to provide a rigorous approach to modeling the interaction of hot and cold particle interactions. The framework will include ion and electron kinetic species in the ionosphere, plasmasphere and polar wind, and kinetic ion, super-thermal electron and fluid electron species in the magnetosphere. The framework is ideally suited to modeling ion outflow from the ionosphere and plasmasphere, where a wide range for fluid and kinetic processes are important. These include escaping ion interactions with (1) photoelectrons, (2) cusp/auroral waves, double layers, and field-aligned currents, (3) double layers in the polar cap due to the interaction of cold ionospheric and hot magnetospheric electrons, (4) counter-streaming ions, and (5) electromagnetic wave turbulence. The kinetic ion interactions are particularly strong during geomagnetic storms and substorms. The presentation will provide a brief description of the models involved and discuss the effect that kinetic processes have on the ion outflow.

Quantum description of microscopic and macroscopic systems: Old problems and recent investigations

International Nuclear Information System (INIS)

Ghirardi, G.C.

1986-04-01

We review some open problems and some proposed solutions which are encountered in the quantum description of the microscopic systems, of the macroscopic ones, and of the interactions between these two types of objects. We describe a recent attempt allowing a unified description of all phenomena, reproducing the quantum mechanical situation for microscopic systems and inducing in a completely consistent way the classical behaviour of macro object and the phenomena of wave packet reduction in the system-apparatus interaction. (author)

Why aortic elasticity differs among classical and non-classical mitral valve prolapsed?

Science.gov (United States)

Unlu, Murat; Demirkol, Sait; Aparci, Mustafa; Arslan, Zekeriya; Balta, Sevket; Dogan, Umuttan; Kilicarslan, Baris; Ozeke, Ozcan; Celik, Turgay; Iyisoy, Atila

2014-01-01

Mitral valve prolapse (MVP) is the most common valvular heart disease and characterized by the displacement of an abnormally thickened mitral valve leaflet into the left atrium during systole. There are two types of MVP, broadly classified as classic (thickness ≥5 mm) and non-classic (thickness elastic properties of the aorta in young male patients with classical and non-classical MVP. In the present study, 63 young adult males (mean age: 22.7 ± 4.2) were included. Patients were divided into classic MVP (n = 27) and non-classic MVP (n = 36) groups. Aortic strain, aortic distensibility and aortic stiffness index were calculated by using aortic diameters obtained by echocardiography and blood pressures measured by sphygmomanometer. There was no significant difference between the groups in terms of age, body mass index, left ventricular mass and ejection fraction. When comparing the MVP group it was found that aortic strain and aortic distensibility were increased (p = 0.0027, p = 0.016, respectively) whereas the aortic stiffness index was decreased (p = 0.06) in the classical MVP group. We concluded that the elastic properties of the aorta is increased in patients with classic MVP. Further large scale studies should be performed to understand of morphological and physiological properties of the aorta in patients with MVP.

Classicality in quantum mechanics

Energy Technology Data Exchange (ETDEWEB)

Dreyer, Olaf [Theoretical Physics, Blackett Laboratory, Imperial College London, London, SW7 2AZ (United Kingdom)

2007-05-15

In this article we propose a solution to the measurement problem in quantum mechanics. We point out that the measurement problem can be traced to an a priori notion of classicality in the formulation of quantum mechanics. If this notion of classicality is dropped and instead classicality is defined in purely quantum mechanical terms the measurement problem can be avoided. We give such a definition of classicality. It identifies classicality as a property of large quantum system. We show how the probabilistic nature of quantum mechanics is a result of this notion of classicality. We also comment on what the implications of this view are for the search of a quantum theory of gravity.

Classicality in quantum mechanics

International Nuclear Information System (INIS)

Dreyer, Olaf

2007-01-01

In this article we propose a solution to the measurement problem in quantum mechanics. We point out that the measurement problem can be traced to an a priori notion of classicality in the formulation of quantum mechanics. If this notion of classicality is dropped and instead classicality is defined in purely quantum mechanical terms the measurement problem can be avoided. We give such a definition of classicality. It identifies classicality as a property of large quantum system. We show how the probabilistic nature of quantum mechanics is a result of this notion of classicality. We also comment on what the implications of this view are for the search of a quantum theory of gravity

Classical integrable defects as quasi Bäcklund transformations

Energy Technology Data Exchange (ETDEWEB)

Doikou, Anastasia, E-mail: a.doikou@hw.ac.uk

2016-10-15

We consider the algebraic setting of classical defects in discrete and continuous integrable theories. We derive the “equations of motion” on the defect point via the space-like and time-like description. We then exploit the structural similarity of these equations with the discrete and continuous Bäcklund transformations. And although these equations are similar they are not exactly the same to the Bäcklund transformations. We also consider specific examples of integrable models to demonstrate our construction, i.e. the Toda chain and the sine-Gordon model. The equations of the time (space) evolution of the defect (discontinuity) degrees of freedom for these models are explicitly derived.

From classical to quantum fields

CERN Document Server

Baulieu, Laurent; Sénéor, Roland

2017-01-01

Quantum Field Theory has become the universal language of most modern theoretical physics. This introductory textbook shows how this beautiful theory offers the correct mathematical framework to describe and understand the fundamental interactions of elementary particles. The book begins with a brief reminder of basic classical field theories, electrodynamics and general relativity, as well as their symmetry properties, and proceeds with the principles of quantisation following Feynman's path integral approach. Special care is used at every step to illustrate the correct mathematical formulation of the underlying assumptions. Gauge theories and the problems encountered in their quantisation are discussed in detail. The last chapters contain a full description of the Standard Model of particle physics and the attempts to go beyond it, such as grand unified theories and supersymmetry. Written for advanced undergraduate and beginning graduate students in physics and mathematics, the book could also serve as a re...

Processes of aggression described by kinetic method

Science.gov (United States)

Aristov, V. V.; Ilyin, O.

2014-12-01

In the last decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France and USSR based on the kinetic theory. We model this process with the Cauchy boundary problem for the two-element kinetic equations with spatial initial conditions. The solution of the problem is given in the form of traveling wave. The propagation velocity of a frontline depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the frontline velocities are complied with the historical data.

Processes of aggression described by kinetic method

International Nuclear Information System (INIS)

Aristov, V. V.; Ilyin, O.

2014-01-01

In the last decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France and USSR based on the kinetic theory. We model this process with the Cauchy boundary problem for the two-element kinetic equations with spatial initial conditions. The solution of the problem is given in the form of traveling wave. The propagation velocity of a frontline depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the frontline velocities are complied with the historical data

Processes of aggression described by kinetic method

Energy Technology Data Exchange (ETDEWEB)

Aristov, V. V.; Ilyin, O. [Dorodnicyn Computing Centre of Russian Academy of Sciences, Vavilova str. 40, Moscow, 119333 (Russian Federation)

2014-12-09

In the last decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France and USSR based on the kinetic theory. We model this process with the Cauchy boundary problem for the two-element kinetic equations with spatial initial conditions. The solution of the problem is given in the form of traveling wave. The propagation velocity of a frontline depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the frontline velocities are complied with the historical data.

Probing static disorder in Arrhenius kinetics by single-molecule force spectroscopy.

Science.gov (United States)

Kuo, Tzu-Ling; Garcia-Manyes, Sergi; Li, Jingyuan; Barel, Itay; Lu, Hui; Berne, Bruce J; Urbakh, Michael; Klafter, Joseph; Fernández, Julio M

2010-06-22

The widely used Arrhenius equation describes the kinetics of simple two-state reactions, with the implicit assumption of a single transition state with a well-defined activation energy barrier DeltaE, as the rate-limiting step. However, it has become increasingly clear that the saddle point of the free-energy surface in most reactions is populated by ensembles of conformations, leading to nonexponential kinetics. Here we present a theory that generalizes the Arrhenius equation to include static disorder of conformational degrees of freedom as a function of an external perturbation to fully account for a diverse set of transition states. The effect of a perturbation on static disorder is best examined at the single-molecule level. Here we use force-clamp spectroscopy to study the nonexponential kinetics of single ubiquitin proteins unfolding under force. We find that the measured variance in DeltaE shows both force-dependent and independent components, where the force-dependent component scales with F(2), in excellent agreement with our theory. Our study illustrates a novel adaptation of the classical Arrhenius equation that accounts for the microscopic origins of nonexponential kinetics, which are essential in understanding the rapidly growing body of single-molecule data.

Random electrodynamics: the theory of classical electrodynamics with classical electromagnetic zero-point radiation

International Nuclear Information System (INIS)

Boyer, T.H.

1975-01-01

The theory of classical electrodynamics with classical electromagnetic zero-point radiation is outlined here under the title random electrodynamics. The work represents a reanalysis of the bounds of validity of classical electron theory which should sharpen the understanding of the connections and distinctions between classical and quantum theories. The new theory of random electrodynamics is a classical electron theory involving Newton's equations for particle motion due to the Lorentz force, and Maxwell's equations for the electromagnetic fields with point particles as sources. However, the theory departs from the classical electron theory of Lorentz in that it adopts a new boundary condition on Maxwell's equations. It is assumed that the homogeneous boundary condition involves random classical electromagnetic radiation with a Lorentz-invariant spectrum, classical electromagnetic zero-point radiation. The implications of random electrodynamics for atomic structure, atomic spectra, and particle-interference effects are discussed on an order-of-magnitude or heuristic level. Some detailed mathematical connections and some merely heuristic connections are noted between random electrodynamics and quantum theory. (U.S.)

J. Genet. classic 101

Indian Academy of Sciences (India)

Journal of Genetics, Vol. 85, No. 2, August 2006. 101. Page 2. J. Genet. classic. 102. Journal of Genetics, Vol. 85, No. 2, August 2006. Page 3. J. Genet. classic. Journal of Genetics, Vol. 85, No. 2, August 2006. 103. Page 4. J. Genet. classic. 104. Journal of Genetics, Vol. 85, No. 2, August 2006. Page 5. J. Genet. classic.

J. Genet. classic 37

Indian Academy of Sciences (India)

Unknown

Journal of Genetics, Vol. 84, No. 1, April 2005. 37. Page 2. J. Genet. classic. Journal of Genetics, Vol. 84, No. 1, April 2005. 38. Page 3. J. Genet. classic. Journal of Genetics, Vol. 84, No. 1, April 2005. 39. Page 4. J. Genet. classic. Journal of Genetics, Vol. 84, No. 1, April 2005. 40. Page 5. J. Genet. classic. Journal of ...

‘Swapna’ in the Indian classics: Mythology or science?

Science.gov (United States)

Tendulkar, Sonali S.; Dwivedi, R. R.

2010-01-01

There are many concepts in Ayurveda as well as the ancient sciences that are untouched or unexplored. One such concept is that of the Swapna (dreams). Being an abstract phenomenon it makes it difficult to be explained and understood; probably because of this the descriptions related to Swapna in the Indian classics are supported by mythology, to make them acceptable. Variations in these explanations are seen according to the objective of the school of thought; that is, in the ancient texts where dreams are used to delve into the knowledge of the Atman and are related to spirituality, its description in the Ayurvedic texts evolves around the Sharira and Manas. Although all these explanations seem to be shrouded in uncertainty and mythology; there definitely seems to be a logical and rational science behind these quotations. They only need research, investigation, and explanation on the basis of logic, and a laboratory. PMID:22131706

Classical description of the electron capture to the continuum cusp formation in ion-atom collisions

International Nuclear Information System (INIS)

Illescas, Clara; Pons, B.; Riera, A.

2002-01-01

Classical calculations are used to describe the dynamics of the electron capture to the continuum (ECC) cusp formation in H + +He collisions. We illustrate the frontier character of the ECC electrons between capture and ionization, and confirm that it is a temporary capture, through projectile focusing, that is responsible for the ECC cusp. Furthermore, the cusp is not a divergence smoothed by the experiment, and is slightly shifted from the impact-velocity value because of the residual pull from the target after ionization. This shift is larger the smaller the nuclear velocity

Evaluation of rate law approximations in bottom-up kinetic models of metabolism

DEFF Research Database (Denmark)

Du, Bin; Zielinski, Daniel C.; Kavvas, Erol S.

2016-01-01

mass action rate law that removes the role of the enzyme from the reaction kinetics. We utilized in vivo data for the human red blood cell to compare the effect of rate law choices against the backdrop of physiological flux and concentration differences. We found that the Michaelis-Menten rate law......Background: The mechanistic description of enzyme kinetics in a dynamic model of metabolism requires specifying the numerical values of a large number of kinetic parameters. The parameterization challenge is often addressed through the use of simplifying approximations to form reaction rate laws....... These approximate rate laws were: 1) a Michaelis-Menten rate law with measured enzyme parameters, 2) a Michaelis-Menten rate law with approximated parameters, using the convenience kinetics convention, 3) a thermodynamic rate law resulting from a metabolite saturation assumption, and 4) a pure chemical reaction...

Compensation effect in H 2 permeation kinetics of PdAg membranes

KAUST Repository

Zeng, Gaofeng

2012-08-30

Knowledge about the (inter)dependence of permeation kinetic parameters on the stoichiometry of H 2-selective alloys is still rudimentary, although uncovering the underlying systematic correlations will greatly facilitate current efforts into the design of novel high-performance H 2 separation membranes. Permeation measurements with carefully engineered, 2-7 μm thick supported Pd 100-xAg x membranes reveal that the activation energy and pre-exponential factor of H 2 permeation laws vary systematically with alloy composition, and both kinetic parameters are strongly correlated for x ≤ 50. We show that this permeation kinetic compensation effect corresponds well with similar correlations in the hydrogen solution thermodynamics and diffusion kinetics of PdAg alloys that govern H 2 permeation rates. This effect enables the consistent description of permeation characteristics over wide temperature and alloy stoichiometry ranges, whereas hydrogen solution thermodynamics may play a role, too, as a yet unrecognized source of kinetic compensation in, for example, H 2-involving reactions over metal catalysts or hydrogenation/ dehydrogenation of hydrogen storage materials. © 2012 American Chemical Society.

Li ⁺ solvation and kinetics of Li⁺–BF₄^-/PF ₆ ^- ion pairs in ethylene carbonate. A molecular dynamics study with classical rate theories

Energy Technology Data Exchange (ETDEWEB)

Chang, Tsun-Mei [Department of Chemistry, University of Wisconsin–Parkside, Kenosha, Wisconsin 53141, USA; Dang, Liem X. [Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 93352, USA

2017-10-28

Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ethylene carbonate (EC) exchange process between the first and second solvation shells around Li+ and the dissociation kinetics of ion pairs Li+-[BF4] and Li+-[PF6] in this solvent. We calculate the exchange rates using transition state theory and correct them with transmission coefficients computed by the reactive flux; Impey, Madden, and McDonald approaches; and Grote-Hynes theory. We found the residence times of EC around Li+ ions varied from 70 to 450 ps, depending on the correction method used. We found the relaxation times changed significantly from Li+-[BF4] to Li+-[PF6] ion pairs in EC. Our results also show that, in addition to affecting the free energy of dissociation in EC, the anion type also significantly influence the dissociation kinetics of ion pairing. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.

A Three-Dimensional Kinematic and Kinetic Study of the College-Level Female Softball Swing

Directory of Open Access Journals (Sweden)

Monica Milanovich, Steven M. Nesbit

2014-03-01

Full Text Available This paper quantifies and discusses the three-dimensional kinematic and kinetic characteristics of the female softball swing as performed by fourteen female collegiate amateur subjects. The analyses were performed using a three-dimensional computer model. The model was driven kinematically from subject swings data that were recorded with a multi-camera motion analysis system. Each subject used two distinct bats with significantly different inertial properties. Model output included bat trajectories, subject/bat interaction forces and torques, work, and power. These data formed the basis for a detailed analysis and description of fundamental swing kinematic and kinetic quantities. The analyses revealed that the softball swing is a highly coordinated and individual three-dimensional motion and subject-to-subject variations were significant in all kinematic and kinetic quantities. In addition, the potential effects of bat properties on swing mechanics are discussed. The paths of the hands and the centre-of-curvature of the bat relative to the horizontal plane appear to be important trajectory characteristics of the swing. Descriptions of the swing mechanics and practical implications are offered based upon these findings.

A MATHEMATICAL MODEL FOR THE KINETICS OF THE MALE REPRODUCTIVE ENDOCRINE SYSTEM

Science.gov (United States)

In this presentation a model for the hormonal regulation of the reproductive endocrine system in the adult male rat will be discussed. The model includes a description of the kinetics of the androgenic hormones testosterone and dihydrotestosterone, as well as the receptor-mediate...

Process Simulation for the Design and Scale Up of Heterogeneous Catalytic Process: Kinetic Modelling Issues

Directory of Open Access Journals (Sweden)

Antonio Tripodi

2017-05-01

Full Text Available Process simulation represents an important tool for plant design and optimization, either applied to well established or to newly developed processes. Suitable thermodynamic packages should be selected in order to properly describe the behavior of reactors and unit operations and to precisely define phase equilibria. Moreover, a detailed and representative kinetic scheme should be available to predict correctly the dependence of the process on its main variables. This review points out some models and methods for kinetic analysis specifically applied to the simulation of catalytic processes, as a basis for process design and optimization. Attention is paid also to microkinetic modelling and to the methods based on first principles, to elucidate mechanisms and independently calculate thermodynamic and kinetic parameters. Different case studies support the discussion. At first, we have selected two basic examples from the industrial chemistry practice, e.g., ammonia and methanol synthesis, which may be described through a relatively simple reaction pathway and the relative available kinetic scheme. Then, a more complex reaction network is deeply discussed to define the conversion of bioethanol into syngas/hydrogen or into building blocks, such as ethylene. In this case, lumped kinetic schemes completely fail the description of process behavior. Thus, in this case, more detailed—e.g., microkinetic—schemes should be available to implement into the simulator. However, the correct definition of all the kinetic data when complex microkinetic mechanisms are used, often leads to unreliable, highly correlated parameters. In such cases, greater effort to independently estimate some relevant kinetic/thermodynamic data through Density Functional Theory (DFT/ab initio methods may be helpful to improve process description.

Quantum to Classical Transitions via Weak Measurements and Post-Selection

Science.gov (United States)

Cohen, Eliahu; Aharonov, Yakir

Alongside its immense empirical success, the quantum mechanical account of physical systems imposes a myriad of divergences from our thoroughly ingrained classical ways of thinking. These divergences, while striking, would have been acceptable if only a continuous transition to the classical domain was at hand. Strangely, this is not quite the case. The difficulties involved in reconciling the quantum with the classical have given rise to different interpretations, each with its own shortcomings. Traditionally, the two domains are sewed together by invoking an ad hoc theory of measurement, which has been incorporated in the axiomatic foundations of quantum theory. This work will incorporate a few related tools for addressing the above conceptual difficulties: deterministic operators, weak measurements, and post-selection. Weak Measurement, based on a very weak von Neumann coupling, is a unique kind of quantum measurement with numerous theoretical and practical applications. In contrast to other measurement techniques, it allows to gather a small amount of information regarding the quantum system, with only a negligible probability of collapsing it onto an eigenstate of the measured observable. A single weak measurement yieldsan almost random outcome, but when performed repeatedly over a large ensemble, the averaged outcome becomes increasingly robust and accurate. Importantly, a long sequence of weak measurements can be thought of as a single projective measurement. We claim in this work that classical variables appearing in the o-world, such as center of mass, moment of inertia, pressure, and average forces, result from a multitude of quantum weak measurements performed in the micro-world. Here again, the quantum outcomes are highly uncertain, but the law of large numbers obliges their convergence to the definite quantities we know from our everyday lives. By augmenting this description with a final boundary condition and employing the notion of "classical

Transient competitive complexation in biological kinetic isotope fractionation explains nonsteady isotopic effects: Theory and application to denitrification in soils

Science.gov (United States)

Maggi, Federico; Riley, William J.

2009-12-01

The theoretical formulation of biological kinetic isotope fractionation often assumes first-order or Michaelis-Menten kinetics, the latter solved under the quasi-steady state assumption. Both formulations lead to a constant isotope fractionation factor, therefore they may return incorrect estimations of isotopic effects and misleading interpretations of isotopic signatures when fractionation is not a steady process. We have analyzed the isotopic signature of denitrification in biogeochemical soil systems by Menyailo and Hungate (2006) in which high and variable 15N-N2O enrichment during N2O production and inverse isotope fractionation during N2O consumption could not be explained with first-order kinetics and the Rayleigh equation, or with Michaelis-Menten kinetics. When Michaelis-Menten kinetics were coupled to Monod kinetics to describe biomass and enzyme dynamics, and the quasi-steady state assumption was relaxed, transient Michaelis-Menten-Monod kinetics accurately reproduced the observed concentrations, and variable and inverse isotope fractionations. These results imply a substantial revision in modeling isotopic effects, suggesting that steady state kinetics such as first-order, Rayleigh, and classic Michaelis-Menten kinetics should be superseded by transient kinetics in conjunction with biomass and enzyme dynamics.

New types of experimental data shape the use of enzyme kinetics for dynamic network modeling.

Science.gov (United States)

Tummler, Katja; Lubitz, Timo; Schelker, Max; Klipp, Edda

2014-01-01

Since the publication of Leonor Michaelis and Maude Menten's paper on the reaction kinetics of the enzyme invertase in 1913, molecular biology has evolved tremendously. New measurement techniques allow in vivo characterization of the whole genome, proteome or transcriptome of cells, whereas the classical enzyme essay only allows determination of the two Michaelis-Menten parameters V and K(m). Nevertheless, Michaelis-Menten kinetics are still commonly used, not only in the in vitro context of enzyme characterization but also as a rate law for enzymatic reactions in larger biochemical reaction networks. In this review, we give an overview of the historical development of kinetic rate laws originating from Michaelis-Menten kinetics over the past 100 years. Furthermore, we briefly summarize the experimental techniques used for the characterization of enzymes, and discuss web resources that systematically store kinetic parameters and related information. Finally, describe the novel opportunities that arise from using these data in dynamic mathematical modeling. In this framework, traditional in vitro approaches may be combined with modern genome-scale measurements to foster thorough understanding of the underlying complex mechanisms. © 2013 FEBS.

Kinetics of free radical decay reactions in lactic acid homo and copolymers irradiated to sterilization dose

International Nuclear Information System (INIS)

Kantoglu, O.; Ozbey, T.; Gueven, O.

1995-01-01

The kinetics of free radical decay reactions of poly(L-Lactic acid), poly(DL-Lactic acid) and random copolymer of lactic and glycolic acid have been investigated for decays taking place in air and in vacuum. The change in ESR lines of γ-irradiated polymers have been followed over a long time period. The decay has been found to follow neither simple first-order nor second-order kinetics. Various kinetic approaches including composite first or second-order mechanisms and diffusion-controlled first or second-order equations were determined to be also unsatisfactory. The decay of radicals in bulk irradiated lactic acid homo and copolymers was found to be best described when the second-order non-classical equation with time dependent rate constant approach was used. (Author)

Spectral methods in chemistry and physics applications to kinetic theory and quantum mechanics

CERN Document Server

Shizgal, Bernard

2015-01-01

This book is a pedagogical presentation of the application of spectral and pseudospectral methods to kinetic theory and quantum mechanics. There are additional applications to astrophysics, engineering, biology and many other fields. The main objective of this book is to provide the basic concepts to enable the use of spectral and pseudospectral methods to solve problems in diverse fields of interest and to a wide audience. While spectral methods are generally based on Fourier Series or Chebychev polynomials, non-classical polynomials and associated quadratures are used for many of the applications presented in the book. Fourier series methods are summarized with a discussion of the resolution of the Gibbs phenomenon. Classical and non-classical quadratures are used for the evaluation of integrals in reaction dynamics including nuclear fusion, radial integrals in density functional theory, in elastic scattering theory and other applications. The subject matter includes the calculation of transport coefficient...

Quantum Computing's Classical Problem, Classical Computing's Quantum Problem

OpenAIRE

Van Meter, Rodney

2013-01-01

Tasked with the challenge to build better and better computers, quantum computing and classical computing face the same conundrum: the success of classical computing systems. Small quantum computing systems have been demonstrated, and intermediate-scale systems are on the horizon, capable of calculating numeric results or simulating physical systems far beyond what humans can do by hand. However, to be commercially viable, they must surpass what our wildly successful, highly advanced classica...

Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena

International Nuclear Information System (INIS)

Lin Chuan-Dong; Li Ying-Jun; Xu Ai-Guo; Zhang Guang-Cai

2014-01-01

A novel polar coordinate lattice Boltzmann kinetic model for detonation phenomena is presented and applied to investigate typical implosion and explosion processes. In this model, the change of discrete distribution function due to local chemical reaction is dynamically coupled into the modified lattice Boltzmann equation which could recover the Navier—Stokes equations, including contribution of chemical reaction, via the Chapman—Enskog expansion. For the numerical investigations, the main focuses are the nonequilibrium behaviors in these processes. The system at the disc center is always in its thermodynamic equilibrium in the highly symmetric case. The internal kinetic energies in different degrees of freedom around the detonation front do not coincide. The dependence of the reaction rate on the pressure, influences of the shock strength and reaction rate on the departure amplitude of the system from its local thermodynamic equilibrium are probed. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Relativistic charged fluids: hydrodynamic and kinetic approaches

International Nuclear Information System (INIS)

Debbasch, F.; Bonnaud, G.

1991-10-01

This report gives a rigorous and consistent hydrodynamic and kinetic description of a charged fluid and the basis equations, in a relativistic context. This study should lead to a reliable model, as much analytical as numerical, of relativistic plasmas which will appear in the interaction of a strong laser field with a plasma. For simplicity, we limited our study to a perfect fluid or, in other words, we disregarded the energy dissipation processes inside the fluid [fr

Step-wise kinetics of natural physical ageing in arsenic selenide glasses

International Nuclear Information System (INIS)

Golovchak, R; Kozdras, A; Balitska, V; Shpotyuk, O

2012-01-01

The long-term kinetics of physical ageing at ambient temperature is studied in Se-rich As-Se glasses using the conventional differential scanning calorimetry technique. It is analysed through the changes in the structural relaxation parameters occurring during the glass-to-supercooled liquid transition in the heating mode. Along with the time dependences of the glass transition temperature (T g ) and partial area (A) under the endothermic relaxation peak, the enthalpy losses (ΔH) and calculated fictive temperature (T F ) are analysed as key parameters, characterizing the kinetics of physical ageing. The latter is shown to have step-wise character, revealing some kinds of subsequent plateaus and steep regions. A phenomenological description of physical ageing in the investigated glasses is proposed on the basis of an alignment-shrinkage mechanism and first-order kinetic equations.

Kinetic theory of the sausage instability of a z-pinch

International Nuclear Information System (INIS)

Isichenko, M.B.; Kulyabin, K.L.; Yan'kov, V.V.

1989-01-01

A linear problem of z-pinch sausage development is considered taking into account the influence of kinetic effects for ideal scanning current. Plasma electrons are considered to be cold and ions - collisionless. It is also supposed that the magnetic field inside a pinch doesn't affect the motion of ions, which are reflected like in a mirror from a jump of an electric potential arising on the plasma boundary. In case of long-wave perturbations ka >1 the acount of kinetics leads to considerable decrease of the increment [(ka) 1/2 times] in comparison with the hydrodynamic description, that permits to explain the increased instability of z-pinches observed in experiments

Thermodynamics, kinetics and process control of nitriding

DEFF Research Database (Denmark)

Mittemeijer, Eric J.; Somers, Marcel A. J.

1999-01-01

As a prerequisite for predictability of properties obtained by a nitriding treatment of iron-based workpieces, the relation between the process parameters and the composition and structure of the surface layer produced must be known. At present (even) the description of thermodynamic equilibrium...... of pure iron-nitrogen phases has not been achieved fully. It has been shown that taking into account ordering of nitrogen in the epsilon and gamma' iron-nitride phases, leads to an improved understanding of the Fe-N phase diagram. Although thermodynamics indicate the state the system strives for......, the nitriding result is determined largely by the kinetics of the process. The nitriding kinetics have been shown to be characterised by the occurring local near-equilibria and stationary states at surfaces and interfaces, and the diffusion coefficient of nitrogen in the various phases, for which new data have...

Uptake kinetics of relatively insoluble particles by tracheobronchial lymph nodes

International Nuclear Information System (INIS)

Thomas, R.G.

1976-01-01

Tracheobronchial lymph nodes accumulate a portion of material deposited in the deep lung following inhalation of relatively insoluble particles. Experiments involving a variety of compounds, inhaled singly or repeatedly, indicate that the kinetics of lymph node uptake are fairly independent of particle characteristics and mammalian species. The buildup per unit weight of nodal tissue compared with that of lung tissue, with time, can be represented by a linear logarithmic function. However, since the scatter in experimental points may be large at any given time after inhalation exposure, a number of different kinetic descriptions of uptake can be derived. The logarithmic pattern of accumulation can be approximated over an extended time range (several years) by use of a combination of first-order kinetics of loss from the lung and of buildup in lymph nodes, but it is recognized that the processes are much more complicated than this treatment would indicate. Clearance (loss) from the lymph nodes is not well defined, but this aspect is discussed in light of the kinetic models presented

Production of a sterile species: Quantum kinetics

Science.gov (United States)

Boyanovsky, D.; Ho, C. M.

2007-10-01

Production of a sterile species is studied within an effective model of active-sterile neutrino mixing in a medium in thermal equilibrium. The quantum kinetic equations for the distribution functions and coherences are obtained from two independent methods: the effective action and the quantum master equation. The decoherence time scale for active-sterile oscillations is τdec=2/Γaa, but the evolution of the distribution functions is determined by the two different time scales associated with the damping rates of the quasiparticle modes in the medium: Γ1=Γaacos⁡2θm; Γ2=Γaasin⁡2θm where Γaa is the interaction rate of the active species in the absence of mixing and θm the mixing angle in the medium. These two time scales are widely different away from Mikheyev-Smirnov-Wolfenstein resonances and preclude the kinetic description of active-sterile production in terms of a simple rate equation. We give the complete set of quantum kinetic equations for the active and sterile populations and coherences and discuss in detail the various approximations. A generalization of the active-sterile transition probability in a medium is provided via the quantum master equation. We derive explicitly the usual quantum kinetic equations in terms of the “polarization vector” and show their equivalence to those obtained from the quantum master equation and effective action.

Hamiltonian field description of two-dimensional vortex fluids and guiding center plasmas

International Nuclear Information System (INIS)

Morrison, P.J.

1981-03-01

The equations that describe the motion of two-dimensional vortex fluids and guiding center plasmas are shown to possess underlying field Hamiltonian structure. A Poisson bracket which is given in terms of the vorticity, the physical although noncanonical dynamical variable, casts these equations into Heisenberg form. The Hamiltonian density is the kinetic energy density of the fluid. The well-known conserved quantities are seen to be in involution with respect to this Poisson bracket. Expanding the vorticity in terms of a Fourier-Dirac series transforms the field description given here into the usual canonical equations for discrete vortex motion. A Clebsch potential representation of the vorticity transforms the noncanonical field description into a canonical description

Higher twist effects in QCD description of light meson exclusive formfactors

International Nuclear Information System (INIS)

Gorskij, A.S.

1987-01-01

The general approach to a quantitative description of higher twist effects in hard exclusive processes in QCD is proposed. The consistent calculations in coordinate space and the choice of special gauges for quantum and classical gluon fields are essential ingradients of this method. The self consistent system of twist three wave functions for π-meson has been built

A surprisingly simple correlation between the classical and quantum structural networks in liquid water

Science.gov (United States)

Hamm, Peter; Fanourgakis, George S.; Xantheas, Sotiris S.

2017-08-01

Nuclear quantum effects in liquid water have profound implications for several of its macroscopic properties related to the structure, dynamics, spectroscopy, and transport. Although several of water's macroscopic properties can be reproduced by classical descriptions of the nuclei using interaction potentials effectively parameterized for a narrow range of its phase diagram, a proper account of the nuclear quantum effects is required to ensure that the underlying molecular interactions are transferable across a wide temperature range covering different regions of that diagram. When performing an analysis of the hydrogen-bonded structural networks in liquid water resulting from the classical (class) and quantum (qm) descriptions of the nuclei with two interaction potentials that are at the two opposite ends of the range in describing quantum effects, namely the flexible, pair-wise additive q-TIP4P/F, and the flexible, polarizable TTM3-F, we found that the (class) and (qm) results can be superimposed over the temperature range T = 250-350 K using a surprisingly simple, linear scaling of the two temperatures according to T(qm) = α T(class) + ΔT, where α = 0.99 and ΔT = -6 K for q-TIP4P/F and α = 1.24 and ΔT = -64 K for TTM3-F. This simple relationship suggests that the structural networks resulting from the quantum and classical treatment of the nuclei with those two very different interaction potentials are essentially similar to each other over this extended temperature range once a model-dependent linear temperature scaling law is applied.

Fermions from classical statistics

International Nuclear Information System (INIS)

Wetterich, C.

2010-01-01

We describe fermions in terms of a classical statistical ensemble. The states τ of this ensemble are characterized by a sequence of values one or zero or a corresponding set of two-level observables. Every classical probability distribution can be associated to a quantum state for fermions. If the time evolution of the classical probabilities p τ amounts to a rotation of the wave function q τ (t)=±√(p τ (t)), we infer the unitary time evolution of a quantum system of fermions according to a Schroedinger equation. We establish how such classical statistical ensembles can be mapped to Grassmann functional integrals. Quantum field theories for fermions arise for a suitable time evolution of classical probabilities for generalized Ising models.

Why irreversibility? The formulation of classical and quantum mechanics for nonintegrable systems

International Nuclear Information System (INIS)

Prigogine, I.

1995-01-01

Nonintegrable Poincare systems with a continuous spectrum lead to the appearance of diffusive terms in the frame of classical or quantum dynamics. These terms break time symmetry. They lead, therefore, to limitations to classical trajectory theory and of wave-function formalism. These diffusive terms correspond to well-defined classes of dynamical processes. The diffusive effects are amplified in situations corresponding to persistent interactions. As a result, we have to include, already, in the fundamental dynamical description the two basic aspects, probability and irreversibility, which are so conspicuous on the macroscopic level. We have to formulate both classical and quantum mechanics on the Liouville level of probability distributions. For integrable systems, we recover the usual formulation of classical or quantum mechanics. Instead of being primitive concepts, which cannot be further analyzed, trajectories and wave functions appear as special solutions of the Liouville-von Neumann equations. This extension of classical and quantum dynamics permits us to unify the two concepts of nature that we inherited from the nineteenth century, based, on the one hand, on dynamical time-reversible laws and, on the other, on an evolutionary view associated to entropy. It leads also to a unified formulation of quantum theory, avoiding the conventional dual structure based on Schroedinger's equation, on the one hand, and on the open-quotes collapseclose quotes of the wave function, on the other. A dynamical interpretation is given to processes such as decoherence or approach to equilibrium without any appeal to extra dynamic considerations. There is a striking parallelism between classical and quantum theory. For large Poincare systems (LPS), we have, in general, both a open-quotes collapseclose quotes of trajectories and of wave functions. In both cases, we need a generalized formulation of dynamics in terms of probability distributions or density matrices

Classical mechanics

CERN Document Server

Benacquista, Matthew J

2018-01-01

This textbook provides an introduction to classical mechanics at a level intermediate between the typical undergraduate and advanced graduate level. This text describes the background and tools for use in the fields of modern physics, such as quantum mechanics, astrophysics, particle physics, and relativity. Students who have had basic undergraduate classical mechanics or who have a good understanding of the mathematical methods of physics will benefit from this book.

Redox kinetics and mechanism in silicate melts

International Nuclear Information System (INIS)

Cochain, B.

2009-12-01

This work contributes to better understand iron redox reactions and mechanisms in silicate melts. It was conducted on compositions in both Na 2 O-B 2 O 3 -SiO 2 -FeO and Na 2 O-Al 2 O 3 -SiO 2 -FeO systems. The influence of boron-sodium and aluminum-sodium substitutions and iron content on properties and structure of glasses and on the iron redox kinetics has been studied by Raman, Moessbauer and XANES spectroscopies at the B and Fe K-edges. In borosilicate glasses, an increase in iron content or in the Fe 3+ /ΣFe redox state implies a structural rearrangement of the BO 4 species in the glass network whereas the BO 3 and BO 4 relative proportions remain nearly constant. In all studied glasses and melts, Fe 3+ is a network former in tetrahedral coordination, unless for aluminosilicates of ratio Al/Na≥1 where Fe 3+ is a network modifier in five-fold coordination. Near Tg, diffusion of network modifying cations controls the iron redox kinetics along with a flux of electron holes. At liquidus temperatures, oxygen diffusion is considered to be the mechanism that governs redox reactions. This study shows the role played by the silicate network polymerization on the redox kinetics. In borosilicate melts, iron redox kinetics depends on the boron speciation between BO 3 and BO 4 that depends itself on the sodium content. Furthermore, an increase in the network-former/network-modifier ratio implies a decrease in oxygen diffusion that results in a slowing down of the redox kinetics. The obtained results allow a description of the iron redox kinetics for more complex compositions as natural lavas or nuclear waste model glasses. (author)

A morphing approach to couple state-based peridynamics with classical continuum mechanics

KAUST Repository

Han, Fei

2016-01-04

A local/nonlocal coupling technique called the morphing method is developed to couple classical continuum mechanics with state-based peridynamics. State-based peridynamics, which enables the description of cracks that appear and propagate spontaneously, is applied to the key domain of a structure, where damage and fracture are considered to have non-negligible effects. In the rest of the structure, classical continuum mechanics is used to reduce computational costs and to simultaneously satisfy solution accuracy and boundary conditions. Both models are glued by the proposed morphing method in the transition region. The morphing method creates a balance between the stiffness tensors of classical continuum mechanics and the weighted coefficients of state-based peridynamics through the equivalent energy density of both models. Linearization of state-based peridynamics is derived by Taylor approximations based on vector operations. The discrete formulation of coupled models is also described. Two-dimensional numerical examples illustrate the validity and accuracy of the proposed technique. It is shown that the morphing method, originally developed for bond-based peridynamics, can be successfully extended to state-based peridynamics through the original developments presented here.

A morphing approach to couple state-based peridynamics with classical continuum mechanics

KAUST Repository

Han, Fei; Lubineau, Gilles; Azdoud, Yan; Askari, Abe

2016-01-01

A local/nonlocal coupling technique called the morphing method is developed to couple classical continuum mechanics with state-based peridynamics. State-based peridynamics, which enables the description of cracks that appear and propagate spontaneously, is applied to the key domain of a structure, where damage and fracture are considered to have non-negligible effects. In the rest of the structure, classical continuum mechanics is used to reduce computational costs and to simultaneously satisfy solution accuracy and boundary conditions. Both models are glued by the proposed morphing method in the transition region. The morphing method creates a balance between the stiffness tensors of classical continuum mechanics and the weighted coefficients of state-based peridynamics through the equivalent energy density of both models. Linearization of state-based peridynamics is derived by Taylor approximations based on vector operations. The discrete formulation of coupled models is also described. Two-dimensional numerical examples illustrate the validity and accuracy of the proposed technique. It is shown that the morphing method, originally developed for bond-based peridynamics, can be successfully extended to state-based peridynamics through the original developments presented here.

Rethinking wave-kinetic theory applied to zonal flows

Science.gov (United States)

Parker, Jeffrey

2017-10-01

Over the past two decades, a number of studies have employed a wave-kinetic theory to describe fluctuations interacting with zonal flows. Recent work has uncovered a defect in this wave-kinetic formulation: the system is dominated by the growth of (arbitrarily) small-scale zonal structures. Theoretical calculations of linear growth rates suggest, and nonlinear simulations confirm, that this system leads to the concentration of zonal flow energy in the smallest resolved scales, irrespective of the numerical resolution. This behavior results from the assumption that zonal flows are extremely long wavelength, leading to the neglect of key terms responsible for conservation of enstrophy. A corrected theory, CE2-GO, is presented; it is free of these errors yet preserves the intuitive phase-space mathematical structure. CE2-GO properly conserves enstrophy as well as energy, and yields accurate growth rates of zonal flow. Numerical simulations are shown to be well-behaved and not dependent on box size. The steady-state limit simplifies into an exact wave-kinetic form which offers the promise of deeper insight into the behavior of wavepackets. The CE2-GO theory takes its place in a hierarchy of models as the geometrical-optics reduction of the more complete cumulant-expansion statistical theory CE2. The new theory represents the minimal statistical description, enabling an intuitive phase-space formulation and an accurate description of turbulence-zonal flow dynamics. This work was supported by an NSF Graduate Research Fellowship, a US DOE Fusion Energy Sciences Fellowship, and US DOE Contract Nos. DE-AC52-07NA27344 and DE-AC02-09CH11466.

Perturbative method for the derivation of quantum kinetic theory based on closed-time-path formalism

International Nuclear Information System (INIS)

Koide, Jun

2002-01-01

Within the closed-time-path formalism, a perturbative method is presented, which reduces the microscopic field theory to the quantum kinetic theory. In order to make this reduction, the expectation value of a physical quantity must be calculated under the condition that the Wigner distribution function is fixed, because it is the independent dynamical variable in the quantum kinetic theory. It is shown that when a nonequilibrium Green function in the form of the generalized Kadanoff-Baym ansatz is utilized, this condition appears as a cancellation of a certain part of contributions in the diagrammatic expression of the expectation value. Together with the quantum kinetic equation, which can be derived in the closed-time-path formalism, this method provides a basis for the kinetic-theoretical description

Kinetic-energy density functional: Atoms and shell structure

International Nuclear Information System (INIS)

Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E.

1996-01-01

We present a nonlocal kinetic-energy functional which includes an anisotropic average of the density through a symmetrization procedure. This functional allows a better description of the nonlocal effects of the electron system. The main consequence of the symmetrization is the appearance of a clear shell structure in the atomic density profiles, obtained after the minimization of the total energy. Although previous results with some of the nonlocal kinetic functionals have given incipient structures for heavy atoms, only our functional shows a clear shell structure for most of the atoms. The atomic total energies have a good agreement with the exact calculations. Discussion of the chemical potential and the first ionization potential in atoms is included. The functional is also extended to spin-polarized systems. copyright 1996 The American Physical Society

Contribution to the modelling and multi-scale numerical simulation of kinetic electron transport in hot plasma

International Nuclear Information System (INIS)

Mallet, J.

2012-01-01

This research thesis stands at the crossroad of plasma physics, numerical analysis and applied mathematics. After an introduction presenting the problematic and previous works, the author recalls some basis of classical kinetic models for plasma physics (collisionless kinetic theory and Vlasov equation, collisional kinetic theory with the non-relativistic Maxwell-Fokker-Plansk system) and describes the fundamental properties of the collision operators such as conservation laws, entropy dissipation, and so on. He reports the improvement of a deterministic numerical method to solve the non-relativistic Vlasov-Maxwell system coupled with Fokker-Planck-Landau type operators. The efficiency of each high order scheme is compared. The evolution of the hot spot is studied in the case of thermonuclear reactions in the centre of the pellet in a weakly collisional regime. The author focuses on the simulation of the kinetic electron collisional transport in inertial confinement fusion (ICF) between the laser absorption zone and the ablation front. A new approach is then introduced to reduce the huge computation time obtained with kinetic models. In a last chapter, the kinetic continuous equation in spherical domain is described and a new model is chosen for collisions in order to preserve collision properties

Classical geometry to quantum behavior correspondence in a virtual extra dimension

International Nuclear Information System (INIS)

Dolce, Donatello

2012-01-01

In the Lorentz invariant formalism of compact space–time dimensions the assumption of periodic boundary conditions represents a consistent semi-classical quantization condition for relativistic fields. In Dolce (2011) we have shown, for instance, that the ordinary Feynman path integral is obtained from the interference between the classical paths with different winding numbers associated with the cyclic dynamics of the field solutions. By means of the boundary conditions, the kinematical information of interactions can be encoded on the relativistic geometrodynamics of the boundary, see Dolce (2012) . Furthermore, such a purely four-dimensional theory is manifestly dual to an extra-dimensional field theory. The resulting correspondence between extra-dimensional geometrodynamics and ordinary quantum behavior can be interpreted in terms of AdS/CFT correspondence. By applying this approach to a simple Quark–Gluon–Plasma freeze-out model we obtain fundamental analogies with basic aspects of AdS/QCD phenomenology. - Highlights: ► Quantum behavior is related to the intrinsic periodicity of isolated systems. ► A periodic phenomenon can be parameterized by a virtual extra dimension. ► KK modes are used to describe the quantum excitations. ► 5D classical geometry encodes 4D quantum behavior. ► Geometrodynamical description of AdS/QCD as modulation of space–time periodicity.

Classical field theory on electrodynamics, non-abelian gauge theories and gravitation

CERN Document Server

Scheck, Florian

2018-01-01

Scheck’s successful textbook presents a comprehensive treatment, ideally suited for a one-semester course. The textbook describes Maxwell's equations first in their integral, directly testable form, then moves on to their local formulation. The first two chapters cover all essential properties of Maxwell's equations, including their symmetries and their covariance in a modern notation. Chapter 3 is devoted to Maxwell's theory as a classical field theory and to solutions of the wave equation. Chapter 4 deals with important applications of Maxwell's theory. It includes topical subjects such as metamaterials with negative refraction index and solutions of Helmholtz' equation in paraxial approximation relevant for the description of laser beams. Chapter 5 describes non-Abelian gauge theories from a classical, geometric point of view, in analogy to Maxwell's theory as a prototype, and culminates in an application to the U(2) theory relevant for electroweak interactions. The last chapter 6 gives a concise summary...

Revisited kinetics of the short lived afterglow of a nitrogen microwave discharge

NARCIS (Netherlands)

Foissac, C.; Supiot, P.; Mazouffre, S.; Engeln, R.A.H.; Schram, D.C.; Sadeghi, N.; Campargue, A.; Stoffels, W.W.

2001-01-01

Nitrogen discharges and afterglows at pressures of a few hundreds of Pascal have been very extensively studied in the past two decades. However, most of the experimental works are based on emission spectroscopy and so far no overall description of the plasma together with the kinetics of the neutral

Global Kinetic Analysis of Mammalian E3 Reveals pH-dependent NAD+/NADH Regulation, Physiological Kinetic Reversibility, and Catalytic Optimum*

Science.gov (United States)

Moxley, Michael A.; Beard, Daniel A.; Bazil, Jason N.

2016-01-01

Mammalian E3 is an essential mitochondrial enzyme responsible for catalyzing the terminal reaction in the oxidative catabolism of several metabolites. E3 is a key regulator of metabolic fuel selection as a component of the pyruvate dehydrogenase complex (PDHc). E3 regulates PDHc activity by altering the affinity of pyruvate dehydrogenase kinase, an inhibitor of the enzyme complex, through changes in reduction and acetylation state of lipoamide moieties set by the NAD+/NADH ratio. Thus, an accurate kinetic model of E3 is needed to predict overall mammalian PDHc activity. Here, we have combined numerous literature data sets and new equilibrium spectroscopic experiments with a multitude of independently collected forward and reverse steady-state kinetic assays using pig heart E3. The latter kinetic assays demonstrate a pH-dependent transition of NAD+ activation to inhibition, shown here, to our knowledge, for the first time in a single consistent data set. Experimental data were analyzed to yield a thermodynamically constrained four-redox-state model of E3 that simulates pH-dependent activation/inhibition and active site redox states for various conditions. The developed model was used to determine substrate/product conditions that give maximal E3 rates and show that, due to non-Michaelis-Menten behavior, the maximal flux is different compared with the classically defined kcat. PMID:26644471

Alternative definitions of kinetic parameters for accelerator driven systems

International Nuclear Information System (INIS)

Talamo, Alberto; Gohar, Yousry; Dulla, Sandra; Ravetto, Piero

2012-01-01

Highlights: ► New definition of kinetic parameters for accelerator driven systems. ► Difference between effective and average delayed neutron fraction. ► Difference between effective and average prompt neutron lifetime. ► Effect of the neutron source (Cf, D–D, D–T) on k src . ► Effect of the (n, xn) reactions and source energy-angle distribution on k src . - Abstract: This study introduces a new formulation of kinetic parameters for accelerator driven systems and it is structured into two parts. The first part is dedicated to the classic definition of the kinetic parameters and compares different calculation methodologies. The second part considers a new definition of the kinetic parameters for subcritical assemblies, with particular emphasis on the delayed neutron fraction and the prompt neutron lifetime. This new definition takes into account neutrons from the external neutron source and (n, xn) reactions, which increase the fraction of prompt neutrons. The developed theoretical framework has been applied by Monte Carlo and deterministic calculations to the YALINA Thermal subcritical assembly located in Belarus. This facility can be driven by californium, deuterium–deuterium (D–D), or deuterium–tritium (D–T) external neutron sources. For the D–T neutron source, (n, xn) reactions must be taken into account in order to produce accurate results because the average energy of D–T source neutrons is 14.1 MeV, a value which is much higher than the threshold energy of the (n, 2n) cross section of uranium isotopes.

J. Genet. classic 235

Indian Academy of Sciences (India)

Unknown

Journal of Genetics, Vol. 83, No. 3, December 2004. 235. Page 2. J. Genet. classic. Journal of Genetics, Vol. 83, No. 3, December 2004. 236. Page 3. J. Genet. classic. Journal of Genetics, Vol. 83, No. 3, December 2004. 237. Page 4. J. Genet. classic. Journal of Genetics, Vol. 83, No. 3, December 2004. 238. Page 5 ...

A quiver kinetic formulation of radio frequency heating and confinement in collisional edge plasmas

International Nuclear Information System (INIS)

Catto, P.J.; Myra, J.R.

1989-01-01

The near fields in the collisional edge plasma of a radio frequency heated tokamak can cause one or more charged species to oscillate in the applied field with a quiver (or jitter) speed comparable to its thermal speed. By assuming the quiver motion dominates over drifts and gyromotion a completely new kinetic description of the flows in an edge plasma is formulated which retains Coulomb collisions and the relevant atomic processes. Moment equations are employed to obtain a description in which only a lowest order quiver kinetic equation need be solved to evaluate the slow time particle fluxes and current induced by the applied fields. The electron heating by collisional randomization of their quiver motion (inverse bremsstrahlung) is balanced by impact excitation losses since equilibration with the ions is too weak. A model plasma of electrons, neutrals, and a single cold ion species is considered to illustrate the utility of the quiver kinetic formulation. The model predicts local electrostatic potential changes and a local /rvec E//times//rvec B/ convective flux that is of the same magnitude and scaling as would be predicted by Bohm diffusion. 30 refs

From norms to macro-norms? The translation of classics seen in a global, diachronic framework

Directory of Open Access Journals (Sweden)

Massimiliano Morini

2014-07-01

Full Text Available Abstract – Recently, Descriptive Translation Studies has been busying itself with single case studies rather than general surveys, with individual translations rather than normative tendencies. Ostensibly, this has been done in an attempt at avoiding the pitfalls of excessive ‘globalism’, and in order to shift the focus from the pressures exerted by society to the contributions given by translators, each according to his/her habitus. While recognizing the value of these ‘localizing’ studies, the present article argues that there is still scope within the discipline for developing universal concepts capable of connecting different forms of behaviour. Whenever the translation scholar aims at describing a field rather than an individual effort, it may be useful, and indeed necessary, to extend Toury’s concept of ‘translation norms’ both synchronically and diachronically. In the field of classical translation, in particular, the significance of single contributions may be lost if it is not seen in the context of international tendencies with deep historical roots – what the author proposes to call ‘macro-norms’.Keywords: Descriptive Translation Studies, classics, comparative literature, norms, macro-norms

Dynamics of unitarization by classicalization

International Nuclear Information System (INIS)

Dvali, Gia; Pirtskhalava, David

2011-01-01

We study dynamics of the classicalization phenomenon suggested in G. Dvali et al. , according to which a class of non-renormalizable theories self-unitarizes at very high-energies via creation of classical configurations (classicalons). We study this phenomenon in an explicit model of derivatively-self-coupled scalar that serves as a prototype for a Nambu-Goldstone-Stueckelberg field. We prepare the initial state in form of a collapsing wave-packet of a small occupation number but of very high energy, and observe that the classical configuration indeed develops. Our results confirm the previous estimates, showing that because of self-sourcing the wave-packet forms a classicalon configuration with radius that increases with center of mass energy. Thus, classicalization takes place before the waves get any chance of probing short-distances. The self-sourcing by energy is the crucial point, which makes classicalization phenomenon different from the ordinary dispersion of the wave-packets in other interacting theories. Thanks to this, unlike solitons or other non-perturbative objects, the production of classicalons is not only unsuppressed, but in fact dominates the high-energy scattering. In order to make the difference between classicalizing and non-classicalizing theories clear, we use a language in which the scattering cross section in a generic theory can be universally understood as a geometric cross section set by a classical radius down to which waves can propagate freely, before being scattered. We then show, that in non-classicalizing examples this radius shrinks with increasing energy and becomes microscopic, whereas in classicalizing theories expands and becomes macroscopic. We study analogous scattering in a Galileon system and discover that classicalization also takes place there, although somewhat differently. We thus observe, that classicalization is source-sensitive and that Goldstones pass the first test.

Kinetic energy budgets near the turbulent/nonturbulent interface in jets

Science.gov (United States)

Taveira, Rodrigo R.; da Silva, Carlos B.

2013-01-01

The dynamics of the kinetic energy near the turbulent/nonturbulent (T/NT) interface separating the turbulent from the irrotational flow regions is analysed using three direct numerical simulations of turbulent planar jets, with Reynolds numbers based on the Taylor micro-scale across the jet shear layer in the range Reλ ≈ 120-160. Important levels of kinetic energy are already present in the irrotational region near the T/NT interface. The mean pressure and kinetic energy are well described by the Bernoulli equation in this region and agree with recent results obtained from rapid distortion theory in the turbulent region [M. A. C. Teixeira and C. B. da Silva, "Turbulence dynamics near a turbulent/non-turbulent interface," J. Fluid Mech. 695, 257-287 (2012)], 10.1017/jfm.2012.17 while the normal Reynolds stresses agree with the theoretical predictions from Phillips ["The irrotational motion outside a free turbulent boundary," Proc. Cambridge Philos. Soc. 51, 220 (1955)], 10.1017/S0305004100030073. The use of conditional statistics in relation to the distance from the T/NT interface allow a detailed study of the build up of kinetic energy across the T/NT interface, pointing to a very different picture than using classical statistics. Conditional kinetic energy budgets show that apart from the viscous dissipation of kinetic energy, the maximum of all the mechanisms governing the kinetic energy are concentrated in a very narrow region distancing about one to two Taylor micro-scales from the T/NT interface. The (total and fluctuating) kinetic energy starts increasing in the irrotational region by pressure-velocity interactions - a mechanism that can act at distance, and continue to grow by advection (for the total kinetic energy) and turbulent diffusion (for the turbulent kinetic energy) inside the turbulent region. These mechanisms tend to occur preferentially around the core of the large-scale vortices existing near T/NT interface. The production of turbulent

Analysis of senior high school student understanding on gas kinetic theory material

Science.gov (United States)

Anri, Y.; Maknun, J.; Chandra, D. T.

2018-05-01

The purpose of this research conducted to find out student understanding profile about gas kinetic theory. Particularly, on ideal gas law material, ideal gas equations and kinetic energy of ideal gas. This research was conducted on student of class XII in one of the schools in Bandung. This research is a descriptive research. The data of this research collected by using test instrument which was the essay that has been developed by the researcher based on Bloom’s Taxonomy revised. Based on the analysis result to student answer, this research discovered that whole student has low understanding in the material of gas kinetic theory. This low understanding caused of the misconception of the student, student attitude on physic subjects, and teacher teaching method who are less helpful in obtaining clear pictures in material being taught.

Cranial trauma in ancient Greece: from Homer to classical authors.

Science.gov (United States)

Konsolaki, Eleni; Astyrakaki, Elisabeth; Stefanakis, George; Agouridakis, Panos; Askitopoulou, Helen

2010-12-01

This article presents literary evidence on traumatic cranio-cerebral injuries in ancient Greece from about 900 B.C. to 100 B.C. The main sources of information are epic and classic Greek texts of that period. Homer provides the first literary source of head trauma, which he portrayed in his epic poems The Iliad and The Odyssey. He describes 41 injuries of the head, face and cervical spine, of which all but two were fatal. Subsequently, other classical authors like Plato, Plutarch and others illustrate cases of cranial trauma that occurred mainly in the battlefields, during athletic games or in unusual accidents. They describe some interesting cases of head trauma in prominent men, such as the poet Aeschylos, the kings Pyrrhos and Kyros and Alexander the Great. Most of these descriptions show that the ancient Greeks possessed very good knowledge of the anatomy of the head and neck region and also of the pathophysiological consequences of trauma in the region. Copyright © 2010 European Association for Cranio-Maxillo-Facial Surgery. Published by Elsevier Ltd. All rights reserved.

Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory.

Science.gov (United States)

Meisner, Jan; Markmeyer, Max N; Bohner, Matthias U; Kästner, Johannes

2017-08-30

Atom tunneling in the hydrogen atom transfer reaction of the 2,4,6-tri-tert-butylphenyl radical to 3,5-di-tert-butylneophyl, which has a short but strongly curved reaction path, was investigated using instanton theory. We found the tunneling path to deviate qualitatively from the classical intrinsic reaction coordinate, the steepest-descent path in mass-weighted Cartesian coordinates. To perform that comparison, we implemented a new variant of the predictor-corrector algorithm for the calculation of the intrinsic reaction coordinate. We used the reaction force analysis method as a means to decompose the reaction barrier into structural and electronic components. Due to the narrow energy barrier, atom tunneling is important in the abovementioned reaction, even above room temperature. Our calculated rate constants between 350 K and 100 K agree well with experimental values. We found a H/D kinetic isotope effect of almost 10 6 at 100 K. Tunneling dominates the protium transfer below 400 K and the deuterium transfer below 300 K. We compared the lengths of the tunneling path and the classical path for the hydrogen atom transfer in the reaction HCl + Cl and quantified the corner cutting in this reaction. At low temperature, the tunneling path is about 40% shorter than the classical path.

Emergency vaccination for classical swine fever will not be cost-effective for countries with a large export

DEFF Research Database (Denmark)

Boklund, Anette; Toft, Nils; Alban, Lis

2009-01-01

the epidemiological and economic consequences of such control strategies under Danish conditions with respect to herd demographics and geography as well as to investigate the effect of extra biosecurity on farms. We used InterSpread Plus to model the effect of nine different control strategies: the minimum measures......,H.M., Smak,J.A., Pluimers,F.H., 1999. The classical swine fever epidemic 1997-1998 in The Netherlands: descriptive epidemiology, Prev.Vet.Med., 42, 157-184. Fritzemeier,J., Teuffert,J., Greiser,Wilke,I, Staubach,Ch, Schlüter,H., Moennig,V., 2000. Epidemiology of classical swine fever in Germany in the 1990s......, Vet.Microbiol. 77, 29-41. MacKinnon, J.D., 2001. Some clinical and epidemiological aspects of the outbreak of Classical Swine Fe-ver in East Anglia in 2000, State Vet.J,, 11, 2-7....

Kinetic theory of nonequilibrium ensembles, irreversible thermodynamics, and generalized hydrodynamics

CERN Document Server

Eu, Byung Chan

2016-01-01

This book presents the fundamentals of irreversible thermodynamics for nonlinear transport processes in gases and liquids, as well as for generalized hydrodynamics extending the classical hydrodynamics of Navier, Stokes, Fourier, and Fick. Together with its companion volume on relativistic theories, it provides a comprehensive picture of the kinetic theory formulated from the viewpoint of nonequilibrium ensembles in both nonrelativistic and, in Vol. 2, relativistic contexts. Theories of macroscopic irreversible processes must strictly conform to the thermodynamic laws at every step and in all approximations that enter their derivation from the mechanical principles. Upholding this as the inviolable tenet, the author develops theories of irreversible transport processes in fluids (gases or liquids) on the basis of irreversible kinetic equations satisfying the H theorem. They apply regardless of whether the processes are near to or far removed from equilibrium, or whether they are linear or nonlinear with respe...

Classical and semi-classical solutions of the Yang--Mills theory

International Nuclear Information System (INIS)

Jackiw, R.; Nohl, C.; Rebbi, C.

1977-12-01

This review summarizes what is known at present about classical solutions to Yang-Mills theory both in Euclidean and Minkowski space. The quantal meaning of these solutions is also discussed. Solutions in Euclidean space expose multiple vacua and tunnelling of the quantum theory. Those in Minkowski space-time provide a semi-classical spectrum for a conformal generator

Macroscopic and microscopic description of HE-HI collisions; classical equations of motion calculations. [Rapidity, cross sections, central and noncentral collisions

Energy Technology Data Exchange (ETDEWEB)

Bodmer, A. R.

1978-01-01

The study of high energy heavy ion reactions includes the three principle a priori approaches used for central collisions, namely, hydrodynamics, cascade--Boltzman equation, and the classical equations of motion. While no clearly justified central or near central collisions are found, the classical equations of motion are used to illustrate some general features of these reactions. It is expected that the hot nuclear matter produced in such collisions is a dense, viscous, and thermally conductive fluid with important nonequilibrium and nonclassical features, rapidity, distribution, noncentral collisions, potential dependent effects for a given two-body scattering, and c.m. cross sections for a central collision with given parameters are among the properties considered. 12 references. (JFP)

Study of kinetics, equilibrium and isotope exchange in ion exchange systems Pt. 6

International Nuclear Information System (INIS)

Plicka, J.; Stamberg, K.; Cabicar, J.; Gosman, A.

1986-01-01

The description of kinetics of ion exchange in ternary system was based upon three Nernst-Planck equations, each of them describing the particle diffusion flux of a given counterion as an independent process. For experimental verification, the strongly acidic cation exchanger OSTION KS 08 the shallow-bed technique, and 0.2 mol x dm -3 aqueous nitrate solutions were chosen. The kinetics of ion exchange in the system of cations Na + - Mg 2+ - UO 2 2+ was studied. The values of diffusion coefficients obtained by evaluating of kinetics of isotope exchange and binary ion exchange were used for calculation. The comparison of calculated exchange rate curves with the experimental ones was made. It was found that the exchanging counterions were affected by each other. (author)

Kinetic Physics of the Solar Corona and Solar Wind

Directory of Open Access Journals (Sweden)

Marsch Eckart

2006-07-01

Full Text Available Kinetic plasma physics of the solar corona and solar wind are reviewed with emphasis on the theoretical understanding of the in situ measurements of solar wind particles and waves, as well as on the remote-sensing observations of the solar corona made by means of ultraviolet spectroscopy and imaging. In order to explain coronal and interplanetary heating, the microphysics of the dissipation of various forms of mechanical, electric and magnetic energy at small scales (e.g., contained in plasma waves, turbulences or non-uniform flows must be addressed. We therefore scrutinise the basic assumptions underlying the classical transport theory and the related collisional heating rates, and also describe alternatives associated with wave-particle interactions. We elucidate the kinetic aspects of heating the solar corona and interplanetary plasma through Landau- and cyclotron-resonant damping of plasma waves, and analyse in detail wave absorption and micro instabilities. Important aspects (virtues and limitations of fluid models, either single- and multi-species or magnetohydrodynamic and multi-moment models, for coronal heating and solar wind acceleration are critically discussed. Also, kinetic model results which were recently obtained by numerically solving the Vlasov–Boltzmann equation in a coronal funnel and hole are presented. Promising areas and perspectives for future research are outlined finally.

Phase-locking in quantum and classical oscillators: polariton condensates, lasers, and arrays of Josephson junctions

OpenAIRE

EASTHAM, PAUL

2003-01-01

PUBLISHED We connect three phenomena in which a coherent electromagnetic field could be generated: polariton condensation, phase-locking in arrays of underdamped Josephson junctions, and lasing. All these phenomena have been described using Dicke-type models of spins coupled to a single photon mode. These descriptions may be distinguished by whether the spins are quantum or classical, and whether they are strongly or weakly damped.

Computer models for kinetic equations of magnetically confined plasmas

International Nuclear Information System (INIS)

Killeen, J.; Kerbel, G.D.; McCoy, M.G.; Mirin, A.A.; Horowitz, E.J.; Shumaker, D.E.

1987-01-01

This paper presents four working computer models developed by the computational physics group of the National Magnetic Fusion Energy Computer Center. All of the models employ a kinetic description of plasma species. Three of the models are collisional, i.e., they include the solution of the Fokker-Planck equation in velocity space. The fourth model is collisionless and treats the plasma ions by a fully three-dimensional particle-in-cell method

Quantum flesh on classical bones: Semiclassical bridges across the quantum-classical divide

Energy Technology Data Exchange (ETDEWEB)

Bokulich, Alisa [Center for Philosophy and History of Science, Boston University, Boston, MA (United States)

2014-07-01

Traditionally quantum mechanics is viewed as having made a sharp break from classical mechanics, and the concepts and methods of these two theories are viewed as incommensurable with one another. A closer examination of the history of quantum mechanics, however, reveals that there is a strong sense in which quantum mechanics was built on the backbone of classical mechanics. As a result, there is a considerable structural continuity between these two theories, despite their important differences. These structural continuities provide a ground for semiclassical methods in which classical structures, such as trajectories, are used to investigate and model quantum phenomena. After briefly tracing the history of semiclassical approaches, I show how current research in semiclassical mechanics is revealing new bridges across the quantum-classical divide.

On relativistic generalization of Perelman's W-entropy and thermodynamic description of gravitational fields and cosmology

Energy Technology Data Exchange (ETDEWEB)

Vacaru, Olivia [National College of Iasi (Romania); Vacaru, Sergiu I. [Quantum Gravity Research, Topanga, CA (United States); University ' ' Al.I. Cuza' ' Iasi, Project IDEI, Iasi (Romania); Werner-Heisenberg-Institute, Max-Planck-Institute for Physics, Munich (Germany); Leibniz University of Hannover, Institute for Theoretical Physics (Germany); Ruchin, Vyacheslav

2017-03-15

Using double 2 + 2 and 3 + 1 nonholonomic fibrations on Lorentz manifolds, we extend the concept of W-entropy for gravitational fields in general relativity (GR). Such F- and W-functionals were introduced in the Ricci flow theory of three dimensional (3-d) Riemannian metrics by Perelman (the entropy formula for the Ricci flow and its geometric applications. arXiv:math.DG/0211159). Non-relativistic 3-d Ricci flows are characterized by associated statistical thermodynamical values determined by W-entropy. Generalizations for geometric flows of 4-d pseudo-Riemannian metrics are considered for models with local thermodynamical equilibrium and separation of dissipative and non-dissipative processes in relativistic hydrodynamics. The approach is elaborated in the framework of classical field theories (relativistic continuum and hydrodynamic models) without an underlying kinetic description, which will be elaborated in other work. The 3 + 1 splitting allows us to provide a general relativistic definition of gravitational entropy in the Lyapunov-Perelman sense. It increases monotonically as structure forms in the Universe. We can formulate a thermodynamic description of exact solutions in GR depending, in general, on all spacetime coordinates. A corresponding 2 + 2 splitting with nonholonomic deformation of linear connection and frame structures is necessary for generating in very general form various classes of exact solutions of the Einstein and general relativistic geometric flow equations. Finally, we speculate on physical macrostates and microstate interpretations of the W-entropy in GR, geometric flow theories and possible connections to string theory (a second unsolved problem also contained in Perelman's work) in Polyakov's approach. (orig.)

Comparative classical and 'ab initio' molecular dynamics study of molten and glassy germanium dioxide

International Nuclear Information System (INIS)

Hawlitzky, M; Horbach, J; Binder, K; Ispas, S; Krack, M

2008-01-01

A molecular dynamics (MD) study of the static and dynamic properties of molten and glassy germanium dioxide is presented. The interactions between the atoms are modeled by the classical pair potential proposed by Oeffner and Elliott (OE) (1998 Phys. Rev. B 58 14791). We compare our results to experiments and previous simulations. In addition, an 'ab initio' method, the so-called Car-Parrinello molecular dynamics (CPMD), is applied to check the accuracy of the structural properties, as obtained by the classical MD simulations with the OE potential. As in a similar study for SiO 2 , the structure predicted by CPMD is only slightly softer than that resulting from the classical MD. In contrast to earlier simulations, both the static structure and dynamic properties are in very good agreement with pertinent experimental data. MD simulations with the OE potential are also used to study the relaxation dynamics. As previously found for SiO 2 , for high temperatures the dynamics of molten GeO 2 is compatible with a description in terms of mode coupling theory

KINETICS OF SUSPENDED EMULSION POLYMERIZATION OF METHYL METHACRYLATE

Institute of Scientific and Technical Information of China (English)

Yong-zhong Bao; Cheng-xi Wang; Zhi-ming Huang; Zhi-xue Weng

2004-01-01

The kinetics of suspended emulsion polymerization of methyl methacrylate (MMA), in which water acted as the dispersed phase and the mixture of MMA and cyclohexane as the continuous phase, was investigated. It showed that the initial polymerization rate (Rp0) and steady-state polymerization rate (Rp) were proportional to the mass ratio between water and oil phase, and increased as the polymerization temperature, the potassium persulphate concentration ([I]) and the Tween20 emulsifier concentration ([S]) increased. The relationships between the polymerization rate and [I] and [S] were obtained as follows: Rp0 ∝ [I]0.73[S]0.32 and Rp ∝ [I]0.71[S]0.23. The above exponents were close to those obtained from normal MMA emulsion polymerization. It also showed that the average molecular weight of the resulting poly(methyl methacrylate) decreased as the polymerization temperature, [I] and [S] increased. Thus, MMA suspended emulsion polymerization could be considered as a combination of many miniature emulsion polymerizations proceeding in water drops and obeyed the classical kinetics of MMA emulsion polymerization.

Dynamic Modeling of Cell-Free Biochemical Networks Using Effective Kinetic Models

Directory of Open Access Journals (Sweden)

Joseph A. Wayman

2015-03-01

Full Text Available Cell-free systems offer many advantages for the study, manipulation and modeling of metabolism compared to in vivo processes. Many of the challenges confronting genome-scale kinetic modeling can potentially be overcome in a cell-free system. For example, there is no complex transcriptional regulation to consider, transient metabolic measurements are easier to obtain, and we no longer have to consider cell growth. Thus, cell-free operation holds several significant advantages for model development, identification and validation. Theoretically, genome-scale cell-free kinetic models may be possible for industrially important organisms, such as E. coli, if a simple, tractable framework for integrating allosteric regulation with enzyme kinetics can be formulated. Toward this unmet need, we present an effective biochemical network modeling framework for building dynamic cell-free metabolic models. The key innovation of our approach is the integration of simple effective rules encoding complex allosteric regulation with traditional kinetic pathway modeling. We tested our approach by modeling the time evolution of several hypothetical cell-free metabolic networks. We found that simple effective rules, when integrated with traditional enzyme kinetic expressions, captured complex allosteric patterns such as ultrasensitivity or non-competitive inhibition in the absence of mechanistic information. Second, when integrated into network models, these rules captured classic regulatory patterns such as product-induced feedback inhibition. Lastly, we showed, at least for the network architectures considered here, that we could simultaneously estimate kinetic parameters and allosteric connectivity from synthetic data starting from an unbiased collection of possible allosteric structures using particle swarm optimization. However, when starting with an initial population that was heavily enriched with incorrect structures, our particle swarm approach could converge

Quantum remnants in the classical limit

International Nuclear Information System (INIS)

Kowalski, A.M.; Plastino, A.

2016-01-01

We analyze here the common features of two dynamical regimes: a quantum and a classical one. We deal with a well known semi-classic system in its route towards the classical limit, together with its purely classic counterpart. We wish to ascertain i) whether some quantum remnants can be found in the classical limit and ii) the details of the quantum-classic transition. The so-called mutual information is the appropriate quantifier for this task. Additionally, we study the Bandt–Pompe's symbolic patterns that characterize dynamical time series (representative of the semi-classical system under scrutiny) in their evolution towards the classical limit. - Highlights: • We investigate the classical limit (CL) of a well known semi classical model. • The study is made by reference to the Bandt Pompe symbolic approach. • The number and type of associated symbols changes as one proceeds towards the CL. • We ascertain which symbols pertaining to the quantum zone remain in the CL.

Quantum remnants in the classical limit

Energy Technology Data Exchange (ETDEWEB)

Kowalski, A.M., E-mail: kowalski@fisica.unlp.edu.ar [Instituto de Física (IFLP-CCT-Conicet), Universidad Nacional de La Plata, C.C. 727, 1900 La Plata (Argentina); Comision de Investigaciones Científicas (CIC) (Argentina); Plastino, A., E-mail: plastino@fisica.unlp.edu.ar [Instituto de Física (IFLP-CCT-Conicet), Universidad Nacional de La Plata, C.C. 727, 1900 La Plata (Argentina); Argentina' s National Research Council (CONICET) (Argentina); SThAR, EPFL Innovation Park, Lausanne (Switzerland)

2016-09-16

We analyze here the common features of two dynamical regimes: a quantum and a classical one. We deal with a well known semi-classic system in its route towards the classical limit, together with its purely classic counterpart. We wish to ascertain i) whether some quantum remnants can be found in the classical limit and ii) the details of the quantum-classic transition. The so-called mutual information is the appropriate quantifier for this task. Additionally, we study the Bandt–Pompe's symbolic patterns that characterize dynamical time series (representative of the semi-classical system under scrutiny) in their evolution towards the classical limit. - Highlights: • We investigate the classical limit (CL) of a well known semi classical model. • The study is made by reference to the Bandt Pompe symbolic approach. • The number and type of associated symbols changes as one proceeds towards the CL. • We ascertain which symbols pertaining to the quantum zone remain in the CL.

Zero-point energy conservation in classical trajectory simulations: Application to H2CO

Science.gov (United States)

Lee, Kin Long Kelvin; Quinn, Mitchell S.; Kolmann, Stephen J.; Kable, Scott H.; Jordan, Meredith J. T.

2018-05-01

A new approach for preventing zero-point energy (ZPE) violation in quasi-classical trajectory (QCT) simulations is presented and applied to H2CO "roaming" reactions. Zero-point energy may be problematic in roaming reactions because they occur at or near bond dissociation thresholds and these channels may be incorrectly open or closed depending on if, or how, ZPE has been treated. Here we run QCT simulations on a "ZPE-corrected" potential energy surface defined as the sum of the molecular potential energy surface (PES) and the global harmonic ZPE surface. Five different harmonic ZPE estimates are examined with four, on average, giving values within 4 kJ/mol—chemical accuracy—for H2CO. The local harmonic ZPE, at arbitrary molecular configurations, is subsequently defined in terms of "projected" Cartesian coordinates and a global ZPE "surface" is constructed using Shepard interpolation. This, combined with a second-order modified Shepard interpolated PES, V, allows us to construct a proof-of-concept ZPE-corrected PES for H2CO, Veff, at no additional computational cost to the PES itself. Both V and Veff are used to model product state distributions from the H + HCO → H2 + CO abstraction reaction, which are shown to reproduce the literature roaming product state distributions. Our ZPE-corrected PES allows all trajectories to be analysed, whereas, in previous simulations, a significant proportion was discarded because of ZPE violation. We find ZPE has little effect on product rotational distributions, validating previous QCT simulations. Running trajectories on V, however, shifts the product kinetic energy release to higher energy than on Veff and classical simulations of kinetic energy release should therefore be viewed with caution.

Analyzing Students’ Level of Understanding on Kinetic Theory of Gases

Science.gov (United States)

Nurhuda, T.; Rusdiana, D.; Setiawan, W.

2017-02-01

The purpose of this research is to analysis students’ level of understanding on gas kinetic theory. The method used is descriptive analytic with 32 students at the 11th grade of one high school in Bandung city as a sample. The sample was taken using random sampling technique. Data collection tool used is an essay test with 23 questions. The instrument was used to identify students’ level of understanding and was judged by four expert judges before it was employed, from 27 questions become to 23 questions, for data collection. Questions used are the conceptual understanding including the competence to explain, extrapolate, translate and interpret. Kinetic theory of gases section that was tested includes ideal gas law, kinetic molecular theory and equipartition of energy. The result shows from 0-4 level of understanding, 19% of the students have partial understanding on the 3th level and 81% of them have partial understanding with a specific misconception on 2th level. For the future research, it is suggested to overcome these conceptual understanding with an Interactive Lecture Demonstrations teaching model and coupled with some teaching materials based on multi-visualization because kinetic theory of gases is a microscopic concept.

Kinetic analyses and mathematical modeling of primary photochemical and photoelectrochemical processes in plant photosystems

NARCIS (Netherlands)

Vredenberg, W.J.

2011-01-01

In this paper the model and simulation of primary photochemical and photo-electrochemical reactions in dark-adapted intact plant leaves is presented. A descriptive algorithm has been derived from analyses of variable chlorophyll a fluorescence and P700 oxidation kinetics upon excitation with

Quantum models of classical systems

International Nuclear Information System (INIS)

Hájíček, P

2015-01-01

Quantum statistical methods that are commonly used for the derivation of classical thermodynamic properties are extended to classical mechanical properties. The usual assumption that every real motion of a classical mechanical system is represented by a sharp trajectory is not testable and is replaced by a class of fuzzy models, the so-called maximum entropy (ME) packets. The fuzzier are the compared classical and quantum ME packets, the better seems to be the match between their dynamical trajectories. Classical and quantum models of a stiff rod will be constructed to illustrate the resulting unified quantum theory of thermodynamic and mechanical properties. (paper)

Kinetic equation for spin-polarized plasmas

International Nuclear Information System (INIS)

Cowley, S.C.; Kulsrud, R.M.; Valeo, E.

1984-07-01

The usual kinetic description of a plasma is extended to include variables to describe the spin. The distribution function, over phase-space and the new spin variables, provides a sufficient description of a spin-polarized plasma. The evolution equation for the distribution function is given. The equations derived are used to calculate depolarization due to four processes, inhomogeneous fields, collisions, collisions in inhomogeneous fields, and waves. It is found that depolarization by field inhomogeneity on scales large compared with the gyroradius is totally negligible. The same is true for collisional depolarization. Collisions in inhomogeneous fields yield a depolarization rate of order 10 -4 S -1 for deuterons and a negligible rate for tritons in a typical fusion reactor design. This is still sufficiently small on reactor time scales. However, small amplitude magnetic fluctuations (of order one gauss) resonant with the spin precession frequency can lead to significant depolarization (depolarises triton in ten seconds and deuteron in a hundred seconds.)

Center manifolds for a class of degenerate evolution equations and existence of small-amplitude kinetic shocks

Science.gov (United States)

Pogan, Alin; Zumbrun, Kevin

2018-06-01

We construct center manifolds for a class of degenerate evolution equations including the steady Boltzmann equation and related kinetic models, establishing in the process existence and behavior of small-amplitude kinetic shock and boundary layers. Notably, for Boltzmann's equation, we show that elements of the center manifold decay in velocity at near-Maxwellian rate, in accord with the formal Chapman-Enskog picture of near-equilibrium flow as evolution along the manifold of Maxwellian states, or Grad moment approximation via Hermite polynomials in velocity. Our analysis is from a classical dynamical systems point of view, with a number of interesting modifications to accommodate ill-posedness of the underlying evolution equation.

Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals cluster

International Nuclear Information System (INIS)

Arbelo-González, W.; Bonnet, L.; Larrégaray, P.; Rayez, J.-C.; Rubayo-Soneira, J.

2012-01-01

Graphical abstract: A recent classical description of photodissociation dynamics in a quantum spirit is applied for the first time to a realistic process, the fragmentation of NeBr 2 . Highlights: ► The photo-dissociation of NeBr 2 is studied by means of two approaches. ► The first is the standard classical one with Gaussian binning. ► The second is a new method applied for the first time to a realistic system. ► The new method leads to exactly the same results as the standard one. ► However, it requires about 10 times less trajectories in the present case. - Abstract: The recent classical dynamical approach of photodissociations with Bohr quantization [L. Bonnet, J. Chem. Phys. 133 (2010) 174108] is applied for the first time to a realistic process, the photofragmentation of the van der Waals cluster NeBr 2 . We illustrate the fact that this approach, formally equivalent to the standard one, may be numerically much more efficient.

Sum rules in classical scattering

International Nuclear Information System (INIS)

Bolle, D.; Osborn, T.A.

1981-01-01

This paper derives sum rules associated with the classical scattering of two particles. These sum rules are the analogs of Levinson's theorem in quantum mechanics which provides a relationship between the number of bound-state wavefunctions and the energy integral of the time delay of the scattering process. The associated classical relation is an identity involving classical time delay and an integral over the classical bound-state density. We show that equalities between the Nth-order energy moment of the classical time delay and the Nth-order energy moment of the classical bound-state density hold in both a local and a global form. Local sum rules involve the time delay defined on a finite but otherwise arbitrary coordinate space volume S and the bound-state density associated with this same region. Global sum rules are those that obtain when S is the whole coordinate space. Both the local and global sum rules are derived for potentials of arbitrary shape and for scattering in any space dimension. Finally the set of classical sum rules, together with the known quantum mechanical analogs, are shown to provide a unified method of obtaining the high-temperature expansion of the classical, respectively the quantum-mechanical, virial coefficients

Determination of the kinetic parameters of BeO thermoluminescent samples using different methods

Energy Technology Data Exchange (ETDEWEB)

Algarve, Fábio J.; Caldas, Linda V.E., E-mail: fjalgarve@ipen.br, E-mail: lcaldas@ipen.br [Instituto de Pesquisas Energéticas e Nucleares (IPEN/CNEN-SP), São Paulo, SP (Brazil)

2017-07-01

The objective of this work was to determine the kinetic parameters of BeO thermoluminescent (TL) samples. The knowledge of the kinetic parameters is important for the general description of the physical characteristics of a thermoluminescent material. Using a linear heating rate of 5K/s{sup -1}, the BeO peak temperatures obtained were (474.7 ± 1.2) K and (620.5 ± 1.2) K, respectively, for the first and second TL peaks. The peak shape and the glow curve area measurement methods and the Urbach formula have been used for the trap parameter determination. A kinetic order of about two was determined for the first peak, whereas the second peak followed the first-order kinetics according to the geometrical factor. The energy activation values obtained using different kinds of measurements are in good agreement, including the Kitis method for deconvolution of the glow curve. Furthermore the results agree with those presented by other authors. (author)

Non-kinetic capabilities: complementing the kinetic prevalence to targeting

OpenAIRE

Ducheine, P.

2014-01-01

Targeting is used in military doctrine to describe a military operational way, using (military) means to influence a target (or addressee) in order to achieve designated political and/or military goals. The four factors italicized are used to analyse non-kinetic targeting, complementing our knowledge and understanding of the kinetic prevalence. Paradoxically, non-kinetic targeting is not recognized as a separate concept: kinetic and non-kinetic are intertwined facets of targeting. Kinetic tar...

Role of Re in Pt-Re/TiO2 catalyst for water gas shift reaction: A mechanistic and kinetic study.

NARCIS (Netherlands)

Azzam, K.G.H.; Babych, Igor V.; Seshan, Kulathuiyer; Lefferts, Leonardus

2008-01-01

Transient kinetic studies and in situ FTIR spectroscopy were used to follow the reaction sequences that occur during water gas shift (WGS) reaction over Pt–Re/TiO2 catalyst. Results pointed to contributions of an associative formate route with redox regeneration and two classical redox routes

Dynamical description of the fission process using the TD-BCS theory

Energy Technology Data Exchange (ETDEWEB)

Scamps, Guillaume, E-mail: scamps@nucl.phys.tohoku.ac.jp [Department of Physics, Tohoku University, Sendai 980-8578 (Japan); Simenel, Cédric [Department of Nuclear Physics, Research School of Physics and Engineering Australian National University, Canberra, Australian Capital Territory 2601 (Australia); Lacroix, Denis [Institut de Physique Nucléaire, IN2P3-CNRS, Université Paris-Sud, F-91406 Orsay Cedex (France)

2015-10-15

The description of fission remains a challenge for nuclear microscopic theories. The time-dependent Hartree-Fock approach with BCS pairing is applied to study the last stage of the fission process. A good agreement is found for the one-body observables: the total kinetic energy and the average mass asymmetry. The non-physical dependence of two-body observables with the initial shape is discussed.

Receptor binding kinetics equations: Derivation using the Laplace transform method.

Science.gov (United States)

Hoare, Sam R J

Measuring unlabeled ligand receptor binding kinetics is valuable in optimizing and understanding drug action. Unfortunately, deriving equations for estimating kinetic parameters is challenging because it involves calculus; integration can be a frustrating barrier to the pharmacologist seeking to measure simple rate parameters. Here, a well-known tool for simplifying the derivation, the Laplace transform, is applied to models of receptor-ligand interaction. The method transforms differential equations to a form in which simple algebra can be applied to solve for the variable of interest, for example the concentration of ligand-bound receptor. The goal is to provide instruction using familiar examples, to enable investigators familiar with handling equilibrium binding equations to derive kinetic equations for receptor-ligand interaction. First, the Laplace transform is used to derive the equations for association and dissociation of labeled ligand binding. Next, its use for unlabeled ligand kinetic equations is exemplified by a full derivation of the kinetics of competitive binding equation. Finally, new unlabeled ligand equations are derived using the Laplace transform. These equations incorporate a pre-incubation step with unlabeled or labeled ligand. Four equations for measuring unlabeled ligand kinetics were compared and the two new equations verified by comparison with numerical solution. Importantly, the equations have not been verified with experimental data because no such experiments are evident in the literature. Equations were formatted for use in the curve-fitting program GraphPad Prism 6.0 and fitted to simulated data. This description of the Laplace transform method will enable pharmacologists to derive kinetic equations for their model or experimental paradigm under study. Application of the transform will expand the set of equations available for the pharmacologist to measure unlabeled ligand binding kinetics, and for other time

Mathematical physics classical mechanics

CERN Document Server

Knauf, Andreas

2018-01-01

As a limit theory of quantum mechanics, classical dynamics comprises a large variety of phenomena, from computable (integrable) to chaotic (mixing) behavior. This book presents the KAM (Kolmogorov-Arnold-Moser) theory and asymptotic completeness in classical scattering. Including a wealth of fascinating examples in physics, it offers not only an excellent selection of basic topics, but also an introduction to a number of current areas of research in the field of classical mechanics. Thanks to the didactic structure and concise appendices, the presentation is self-contained and requires only knowledge of the basic courses in mathematics. The book addresses the needs of graduate and senior undergraduate students in mathematics and physics, and of researchers interested in approaching classical mechanics from a modern point of view.

Brownian motion of classical spins: Anomalous dissipation and generalized Langevin equation

Science.gov (United States)

Bandyopadhyay, Malay; Jayannavar, A. M.

2017-10-01

In this work, we derive the Langevin equation (LE) of a classical spin interacting with a heat bath through momentum variables, starting from the fully dynamical Hamiltonian description. The derived LE with anomalous dissipation is analyzed in detail. The obtained LE is non-Markovian with multiplicative noise terms. The concomitant dissipative terms obey the fluctuation-dissipation theorem. The Markovian limit correctly produces the Kubo and Hashitsume equation. The perturbative treatment of our equations produces the Landau-Lifshitz equation and the Seshadri-Lindenberg equation. Then we derive the Fokker-Planck equation corresponding to LE and the concept of equilibrium probability distribution is analyzed.

Kinetic models for historical processes of fast invasion and aggression

Science.gov (United States)

Aristov, Vladimir V.; Ilyin, Oleg V.

2015-04-01

In the last few decades many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological, and historical processes. In the present paper we suggest a model of the Nazi Germany invasion of Poland, France, and the USSR based on kinetic theory. We simulate this process with the Cauchy boundary problem for two-element kinetic equations. The solution of the problem is given in the form of a traveling wave. The propagation velocity of a front line depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be expressed in terms of quadratures and elementary functions. Finally it is shown that the front-line velocities agree with the historical data.

On the hypothesis that quantum mechanism manifests classical mechanics: Numerical approach to the correspondence in search of quantum chaos

International Nuclear Information System (INIS)

Lee, Sang-Bong.

1993-09-01

Quantum manifestation of classical chaos has been one of the extensively studied subjects for more than a decade. Yet clear understanding of its nature still remains to be an open question partly due to the lack of a canonical definition of quantum chaos. The classical definition seems to be unsuitable in quantum mechanics partly because of the Heisenberg quantum uncertainty. In this regard, quantum chaos is somewhat misleading and needs to be clarified at the very fundamental level of physics. Since it is well known that quantum mechanics is more fundamental than classical mechanics, the quantum description of classically chaotic nature should be attainable in the limit of large quantum numbers. The focus of my research, therefore, lies on the correspondence principle for classically chaotic systems. The chaotic damped driven pendulum is mainly studied numerically using the split operator method that solves the time-dependent Schroedinger equation. For classically dissipative chaotic systems in which (multi)fractal strange attractors often emerge, several quantum dissipative mechanisms are also considered. For instance, Hoover's and Kubo-Fox-Keizer's approaches are studied with some computational analyses. But the notion of complex energy with non-Hermiticity is extensively applied. Moreover, the Wigner and Husimi distribution functions are examined with an equivalent classical distribution in phase-space, and dynamical properties of the wave packet in configuration and momentum spaces are also explored. The results indicate that quantum dynamics embraces classical dynamics although the classicalquantum correspondence fails to be observed in the classically chaotic regime. Even in the semi-classical limits, classically chaotic phenomena would eventually be suppressed by the quantum uncertainty

Towards "Thick Description" of Educational Transfer: Understanding a Japanese Institution's "Import" of European Language Policy

Science.gov (United States)

Rappleye, Jeremy; Imoto, Yuki; Horiguchi, Sachiko

2011-01-01

Globalisation and convergence in educational policy worldwide has reinvigorated, while rendering more complex, the classic theme of educational transfer. Framed by this wider pursuit of new understandings of a changing transfer/context puzzle, this paper explores how an ethnographic "thick description" might complement and extend recent…

Classical and quantum dynamics from classical paths to path integrals

CERN Document Server

Dittrich, Walter

2017-01-01

Graduate students who wish to become familiar with advanced computational strategies in classical and quantum dynamics will find in this book both the fundamentals of a standard course and a detailed treatment of the time-dependent oscillator, Chern-Simons mechanics, the Maslov anomaly and the Berry phase, to name just a few topics. Well-chosen and detailed examples illustrate perturbation theory, canonical transformations and the action principle, and demonstrate the usage of path integrals. The fifth edition has been revised and enlarged to include chapters on quantum electrodynamics, in particular, Schwinger’s proper time method and the treatment of classical and quantum mechanics with Lie brackets and pseudocanonical transformations. It is shown that operator quantum electrodynamics can be equivalently described with c-numbers, as demonstrated by calculating the propagation function for an electron in a prescribed classical electromagnetic field.

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

Science.gov (United States)

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; Martinez, Todd; Chen, Hsing-Ta; Subotnik, Joseph E.

2018-03-01

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent "spontaneous" emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using the SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978), 10.1063/1.436793] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.

Succinate overproduction: A case study of computational strain design using a comprehensive Escherichia coli kinetic model

Directory of Open Access Journals (Sweden)

Ali eKhodayari

2015-01-01

Full Text Available Computational strain design prediction accuracy has been the focus for many recent efforts through the selective integration of kinetic information into metabolic models. In general, kinetic model prediction quality is determined by the range and scope of genetic and/or environmental perturbations used during parameterization. In this effort, we apply the k-OptForce procedure on a kinetic model of E. coli core metabolism constructed using the Ensemble Modeling (EM method and parameterized using multiple mutant strains data under aerobic respiration with glucose as the carbon source. Minimal interventions are identified that improve succinate yield under both aerobic and anaerobic conditions to test the fidelity of model predictions under both genetic and environmental perturbations. Under aerobic condition, k-OptForce identifies interventions that match existing experimental strategies pointing at a number of unexplored flux redirections such as routing glyoxylate flux through the glycerate metabolism to improve succinate yield. Many of the identified interventions rely on the kinetic descriptions and would not be discoverable by a purely stoichiometric description. In contrast, under fermentative (anaerobic conditions, k-OptForce fails to identify key interventions including up-regulation of anaplerotic reactions and elimination of competitive fermentative products. This is due to the fact that the pathways activated under anaerobic conditions were not properly parameterized as only aerobic flux data were used in the model construction. This study shed light on the importance of condition-specific model parameterization and provides insight onto how to augment kinetic models so as to correctly respond to multiple environmental perturbations.

[Prostate cancer. Part 1: Review of cell kinetics over the years 1966-2015 and future perspectives of the new grading of the International Society of Urological Pathology (ISUP)].

Science.gov (United States)

Helpap, B; Bubendorf, L

2016-02-01

Using tritium-labeled thymidine histoautoradiography, the AgNOR staining technique and Ki67-MIB-1 immunohistochemistry to study cell kinetics, prostate cancer can be subdivided into slowly, moderately and rapidly proliferating tumors. These are important supplementary methods and prerequisites for a grading as low, intermediate and high-grade in addition to classical histology and cytology. Cytometry of DNA can confirm the cell kinetics of prostate cancer by detection of a predominance of diploid or aneuploid cell nuclei but should only be evaluated together with histological investigations. All histology-based analyses of cell kinetics encompass the classical highly and poorly differentiated glandular and cribriform patterns as well as solid undifferentiated structures and the various subcategories. The malignancy grading of prostate cancer can result from the summation of histological grading and cell kinetic analyses, as long as the named investigations are included. The future perspectives of individualized therapy options, including active surveillance in early low-grade and also for high-grade prostate cancer and new antihormonal treatment in advanced disease, may increasingly rely on tissue biomarkers and advanced technologies for whole genome analysis including next generation sequencing.

About the statistical description of gas-liquid flows

Energy Technology Data Exchange (ETDEWEB)

Sanz, D.; Guido-Lavalle, G.; Carrica, P. [Centro Atomico Bariloche and Instituto Balseiro (Argentina)] [and others

1995-09-01

Elements of the probabilistic geometry are used to derive the bubble coalescence term of the statistical description of gas liquid flows. It is shown that the Boltzmann`s hypothesis, that leads to the kinetic theory of dilute gases, is not appropriate for this kind of flows. The resulting integro-differential transport equation is numerically integrated to study the flow development in slender bubble columns. The solution remarkably predicts the transition from bubbly to slug flow pattern. Moreover, a bubbly bimodal size distribution is predicted, which has already been observed experimentally.

Classical field theory. On electrodynamics, non-Abelian gauge theories and gravitation. 2. ed.

Energy Technology Data Exchange (ETDEWEB)

Scheck, Florian

2018-04-01

Scheck's successful textbook presents a comprehensive treatment, ideally suited for a one-semester course. The textbook describes Maxwell's equations first in their integral, directly testable form, then moves on to their local formulation. The first two chapters cover all essential properties of Maxwell's equations, including their symmetries and their covariance in a modern notation. Chapter 3 is devoted to Maxwell's theory as a classical field theory and to solutions of the wave equation. Chapter 4 deals with important applications of Maxwell's theory. It includes topical subjects such as metamaterials with negative refraction index and solutions of Helmholtz' equation in paraxial approximation relevant for the description of laser beams. Chapter 5 describes non-Abelian gauge theories from a classical, geometric point of view, in analogy to Maxwell's theory as a prototype, and culminates in an application to the U(2) theory relevant for electroweak interactions. The last chapter 6 gives a concise summary of semi-Riemannian geometry as the framework for the classical field theory of gravitation. The chapter concludes with a discussion of the Schwarzschild solution of Einstein's equations and the classical tests of general relativity. The new concept of this edition presents the content divided into two tracks: the fast track for master's students, providing the essentials, and the intensive track for all wanting to get in depth knowledge of the field. Cleary labeled material and sections guide students through the preferred level of treatment. Numerous problems and worked examples will provide successful access to Classical Field Theory.

Quantum tunneling observed without its characteristic large kinetic isotope effects.

Science.gov (United States)

Hama, Tetsuya; Ueta, Hirokazu; Kouchi, Akira; Watanabe, Naoki

2015-06-16

Classical transition-state theory is fundamental to describing chemical kinetics; however, quantum tunneling is also important in explaining the unexpectedly large reaction efficiencies observed in many chemical systems. Tunneling is often indicated by anomalously large kinetic isotope effects (KIEs), because a particle's ability to tunnel decreases significantly with its increasing mass. Here we experimentally demonstrate that cold hydrogen (H) and deuterium (D) atoms can add to solid benzene by tunneling; however, the observed H/D KIE was very small (1-1.5) despite the large intrinsic H/D KIE of tunneling (≳ 100). This strong reduction is due to the chemical kinetics being controlled not by tunneling but by the surface diffusion of the H/D atoms, a process not greatly affected by the isotope type. Because tunneling need not be accompanied by a large KIE in surface and interfacial chemical systems, it might be overlooked in other systems such as aerosols or enzymes. Our results suggest that surface tunneling reactions on interstellar dust may contribute to the deuteration of interstellar aromatic and aliphatic hydrocarbons, which could represent a major source of the deuterium enrichment observed in carbonaceous meteorites and interplanetary dust particles. These findings could improve our understanding of interstellar physicochemical processes, including those during the formation of the solar system.

Numeric databases on the kinetics of transient species in solution

International Nuclear Information System (INIS)

Helman, W.P.; Hug, G.L.; Carmichael, Ian; Ross, A.B.

1988-01-01

A description is given of data compilations on the kinetics of transient species in solution. In particular information is available for the reactions of radicals in aqueous solution and for excited states such as singlet molecular oxygen and those of metal complexes in solution. Methods for compilation and use of the information in computer-readable form are also described. Emphasis is placed on making the database available for online searching. (author)

The fractional diffusion limit of a kinetic model with biochemical pathway

Science.gov (United States)

Perthame, Benoît; Sun, Weiran; Tang, Min

2018-06-01

Kinetic-transport equations that take into account the intracellular pathways are now considered as the correct description of bacterial chemotaxis by run and tumble. Recent mathematical studies have shown their interest and their relations to more standard models. Macroscopic equations of Keller-Segel type have been derived using parabolic scaling. Due to the randomness of receptor methylation or intracellular chemical reactions, noise occurs in the signaling pathways and affects the tumbling rate. Then comes the question to understand the role of an internal noise on the behavior of the full population. In this paper we consider a kinetic model for chemotaxis which includes biochemical pathway with noises. We show that under proper scaling and conditions on the tumbling frequency as well as the form of noise, fractional diffusion can arise in the macroscopic limits of the kinetic equation. This gives a new mathematical theory about how long jumps can be due to the internal noise of the bacteria.

Classical trajectory methods in molecular collisions

International Nuclear Information System (INIS)

Porter, R.N.; Raff, L.M.

1976-01-01

The discussion of classical trajectory methods in molecular collisions includes classical dynamics, Hamiltonian mechanics, classical scattering cross sections and rate coefficients, statistical averaging, the selection of initial states, integration of equations of motion, analysis of final states, consecutive collisions, and the prognosis for classical molecular scattering calculations. 61 references

A kinetic-MHD model for low frequency phenomena

International Nuclear Information System (INIS)

Cheng, C.Z.

1991-07-01

A hybrid kinetic-MHD model for describing low-frequency phenomena in high beta anisotropic plasmas that consist of two components: a low energy core component and an energetic component with low density. The kinetic-MHD model treats the low energy core component by magnetohydrodynamic (MHD) description, the energetic component by kinetic approach such as the gyrokinetic equation, and the coupling between the dynamics of these two components through plasma pressure in the momentum equation. The kinetic-MHD model optimizes both the physics contents and the theoretical efforts in studying low frequency MHD waves and transport phenomena in general magnetic field geometries, and can be easily modified to include the core plasma kinetic effects if necessary. It is applicable to any magnetized collisionless plasma system where the parallel electric field effects are negligibly small. In the linearized limit two coupled eigenmode equations for describing the coupling between the transverse Alfven type and the compressional Alfven type waves are derived. The eigenmode equations are identical to those derived from the full gyrokinetic equation in the low frequency limit and were previously analyzed both analytically nd numerically to obtain the eigenmode structure of the drift mirror instability which explains successfully the multi-satellite observation of antisymmetric field-aligned structure of the compressional magnetic field of Pc 5 waves in the magnetospheric ring current plasma. Finally, a quadratic form is derived to demonstrate the stability of the low-frequency transverse and compressional Alfven type instabilities in terms of the pressure anisotropy parameter τ and the magnetic field curvature-pressure gradient parameter. A procedure for determining the stability of a marginally stable MHD wave due to wave-particle resonances is also presented

Modelling the role of compositional fluctuations in nucleation kinetics

International Nuclear Information System (INIS)

Ženíšek, J.; Kozeschnik, E.; Svoboda, J.; Fischer, F.D.

2015-01-01

The classical nucleation theory of precipitate nucleation in interstitial/substitutional alloys is applied to account for the influence of spatial A–B composition fluctuations in an A–B–C matrix on the kinetics of nucleation of (A,B) 3 C precipitates. A and B are substitutional elements in the matrix and C is an interstitial component, assumed to preferentially bind to B atoms. All lattice sites are considered as potential nucleation sites. The fluctuations of chemical composition result in a local variation of the nucleation probability. The nucleation sites are eliminated from the system if they are located in a C-depleted diffusion zone belonging to an already nucleated and growing precipitate. The chemistry is that of an Fe–Cr–C system, and the specific interface energy is treated as a free parameter. Random, regular and homogeneous A–B distributions in the matrix are simulated and compared for various values of the interface energy. An increasing enhancement of the role of compositional fluctuations on nucleation kinetics with increasing interface energy and decreasing chemical driving force is observed

Kinetics of a new phase formation in supersaturated solid solutions. 1. Dilute one-component systems

International Nuclear Information System (INIS)

Dubinko, V.I.

1991-07-01

A complete set of kinetic equations describing the diffusion decay of supersaturated solutions, as well as the formation of new-phase fluctuations in equilibrium systems, is derived. A novel method of determining forward and backward reaction rates entering the master equation is proposed which does not require the use of any reference cluster size distribution, either the constrained or the true equilibrium one, employed in all modifications of the classical nucleation theory. Instead, this reference distribution can be obtained as an equilibrium solution of the present master equation. The main advantage of this method is the possibility to take into account various factors affecting the diffusion decay, such as the reaction kinetics at the precipitate surfaces and the diffusion kinetics in the mother phase with account of elastic interaction between nucleating species and their clusters. The latter is of a key importance in the irradiation environment considered in the forthcoming second part of the article. (author). 3 refs

Structuring Knowledge Management – Classical Theory, Strategic Initiation And Operational Knowledge Management (part I

Directory of Open Access Journals (Sweden)

Zawiła-Niedźwiecki Janusz

2015-06-01

Full Text Available The article is the generalization of experience of the implementation project, which has been treated as well as a research field. The results are presented in two parts. The first part includes: a description of the classical approach to knowledge management and shows the concept of structure of process of knowledge management with a description of the procedure in each step of the process. The key idea is to divide the process in three spirals of actions: spiral of perfecting the collection of knowledge; spiral of the perfecting of the formulation of knowledge; spiral of perfecting the utilization of knowledge. Part II of this paper is article Structuring Knowledge Management – Levels, Resources And Efficiency Areas of Knowledge Management (DOI: 10.1515/fman-2015-0042.

Quantum group of isometries in classical and noncommutative geometry

International Nuclear Information System (INIS)

Goswami, D.

2007-04-01

We formulate a quantum generalization of the notion of the group of Riemannian isometries for a compact Riemannian manifold, by introducing a natural notion of smooth and isometric action by a compact quantum group on a classical or noncommutative manifold described by spectral triples, and then proving the existence of a universal object (called the quantum isometry group) in the category of compact quantum groups acting smoothly and isometrically on a given (possibly noncommutative) manifold. Our formulation accommodates spectral triples which are not of type II. We give an explicit description of quantum isometry groups of commutative and noncommutative tori, and in this context, obtain the quantum double torus defined in [7] as the universal quantum group of holomorphic isometries of the noncommutative torus. (author)

Simulation of the hot flow behaviour of a medium carbon microalloyed steel. Part 2. Dynamic recrystallization: onset and kinetics

International Nuclear Information System (INIS)

Cabrera, J.M.; Al Omar, A.; Prado, J.M.

1997-01-01

According to the part 1 of this work, in this second part the dynamic recrystallization of a commercial medium carbon microalloyed steel is characterized from the point of view of its onset and kinetics. For this purpose uniaxial hot compression tests were carried out over a range of five orders of magnitude in strain rate and 300 degree centigree of temperature. Experimental results are compared with those reported in the literature and the possible effect of dynamic precipitation is also analyzed. It is verified that the kinetics of dynamics recrystallization can balefully be described by the classical Avrami equation. (Author) 42 refs

Precipitation kinetics in binary Fe–Cu and ternary Fe–Cu–Ni alloys via kMC method

Directory of Open Access Journals (Sweden)

Yi Wang

2017-08-01

Full Text Available The precipitation kinetics of coherent Cu rich precipitates (CRPs in binary Fe–Cu and ternary Fe–Cu–Ni alloys during thermal aging was modelled by the kinetic Monte Carlo method (kMC. A good agreement of the precipitation kinetics of Fe–Cu was found between the simulation and experimental results, as observed by means of advancement factor and cluster number density. This agreement was obtained owing to the correct description of the fast cluster mobility. The simulation results indicate that the effects of Ni are two-fold: Ni promotes the nucleation of Cu clusters; while the precipitation kinetics appears to be delayed by Ni addition during the coarsening stage. The apparent delayed precipitation kinetics is revealed to be related with the cluster mobility, which are reduced by Ni addition. The reduction effect of the cluster mobility weakens when the CRPs sizes increase. The results provide a view angle on the effects of solute elements upon Cu precipitation kinetics through the consideration of the non-conventional cluster growth mechanism, and kMC is verified to be a powerful approach on that.

Investigation of Numerical Dissipation in Classical and Implicit Large Eddy Simulations

Directory of Open Access Journals (Sweden)

Moutassem El Rafei

2017-12-01

Full Text Available The quantitative measure of dissipative properties of different numerical schemes is crucial to computational methods in the field of aerospace applications. Therefore, the objective of the present study is to examine the resolving power of Monotonic Upwind Scheme for Conservation Laws (MUSCL scheme with three different slope limiters: one second-order and two third-order used within the framework of Implicit Large Eddy Simulations (ILES. The performance of the dynamic Smagorinsky subgrid-scale model used in the classical Large Eddy Simulation (LES approach is examined. The assessment of these schemes is of significant importance to understand the numerical dissipation that could affect the accuracy of the numerical solution. A modified equation analysis has been employed to the convective term of the fully-compressible Navier–Stokes equations to formulate an analytical expression of truncation error for the second-order upwind scheme. The contribution of second-order partial derivatives in the expression of truncation error showed that the effect of this numerical error could not be neglected compared to the total kinetic energy dissipation rate. Transitions from laminar to turbulent flow are visualized considering the inviscid Taylor–Green Vortex (TGV test-case. The evolution in time of volumetrically-averaged kinetic energy and kinetic energy dissipation rate have been monitored for all numerical schemes and all grid levels. The dissipation mechanism has been compared to Direct Numerical Simulation (DNS data found in the literature at different Reynolds numbers. We found that the resolving power and the symmetry breaking property are enhanced with finer grid resolutions. The production of vorticity has been observed in terms of enstrophy and effective viscosity. The instantaneous kinetic energy spectrum has been computed using a three-dimensional Fast Fourier Transform (FFT. All combinations of numerical methods produce a k − 4 spectrum

Implementing atomic force microscopy (AFM) for studying kinetics of gold nanoparticle's growth

DEFF Research Database (Denmark)

Georgiev, P.; Bojinova, A.; Kostova, B.

2013-01-01

In a novel experimental approach Atomic Force Microscopy (AFM) was applied as a tool for studying the kinetics of gold nanoparticle growth. The gold nanoparticles were obtained by classical Turkevich citrate synthesis at two different temperatures. From the analysis of AFM images during...... the synthesis process the nanoparticle s' sizes were obtained. To demonstrate the applicability and the reliability of the proposed experimental approach we studied the nanoparticles growth at two different temperatures by spectrophotometric measurements and compared them with the results from AFM experimental...

Classical Trajectories and Quantum Spectra

Science.gov (United States)

Mielnik, Bogdan; Reyes, Marco A.

1996-01-01

A classical model of the Schrodinger's wave packet is considered. The problem of finding the energy levels corresponds to a classical manipulation game. It leads to an approximate but non-perturbative method of finding the eigenvalues, exploring the bifurcations of classical trajectories. The role of squeezing turns out decisive in the generation of the discrete spectra.

Classical relativistic ideal gas in thermodynamic equilibrium in a uniformly accelerated reference frame

International Nuclear Information System (INIS)

Louis-Martinez, Domingo J

2011-01-01

A classical (non-quantum-mechanical) relativistic ideal gas in thermodynamic equilibrium in a uniformly accelerated frame of reference is studied using Gibbs's microcanonical and grand canonical formulations of statistical mechanics. Using these methods explicit expressions for the particle, energy and entropy density distributions are obtained, which are found to be in agreement with the well-known results of the relativistic formulation of Boltzmann's kinetic theory. Explicit expressions for the total entropy, total energy and rest mass of the gas are obtained. The position of the center of mass of the gas in equilibrium is found. The non-relativistic and ultrarelativistic approximations are also considered. The phase space volume of the system is calculated explicitly in the ultrarelativistic approximation.

A trajectory description of quantum processes. I. Fundamentals. A Bohmian perspective

International Nuclear Information System (INIS)

Sanz, Angel S.; Miret-Artes, Salvador

2012-01-01

Offers a thorough introduction to, and treatment of, trajectory-based quantum-mechanical calculations. Presents the fundamentals of Bohmian mechanics. Useful for a wide range of scattering problems, as described in Vol. 2. Trajectory-based formalisms are an intuitively appealing way of describing quantum processes because they allow the use of ''classical'' concepts. Beginning at an introductory level suitable for students, this two-volume monograph presents (1) the fundamentals and (2) the applications of the trajectory description of basic quantum processes. This first volume is focussed on the classical and quantum background necessary to understand the fundamentals of Bohmian mechanics, which can be considered the main topic of this work. Extensions of the formalism to the fields of open quantum systems and to optics are also proposed and discussed.

A trajectory description of quantum processes. I. Fundamentals. A Bohmian perspective

Energy Technology Data Exchange (ETDEWEB)

Sanz, Angel S.; Miret-Artes, Salvador [Consejo Superior de Investigaciones Cientificas, Madrid (Spain). Inst. de Fisica Fundamental

2012-11-01

Offers a thorough introduction to, and treatment of, trajectory-based quantum-mechanical calculations. Presents the fundamentals of Bohmian mechanics. Useful for a wide range of scattering problems, as described in Vol. 2. Trajectory-based formalisms are an intuitively appealing way of describing quantum processes because they allow the use of ''classical'' concepts. Beginning at an introductory level suitable for students, this two-volume monograph presents (1) the fundamentals and (2) the applications of the trajectory description of basic quantum processes. This first volume is focussed on the classical and quantum background necessary to understand the fundamentals of Bohmian mechanics, which can be considered the main topic of this work. Extensions of the formalism to the fields of open quantum systems and to optics are also proposed and discussed.

Kinetics of Reactive Fronts in Porous Media: quantification through a laboratory experiment

Science.gov (United States)

De Anna, P.; Jimenez-Martinez, J.; Turuban, R.; Tabuteau, H.; Derrien, M.; Le Borgne, T.; Meheust, Y.

2013-12-01

The kinetics of reaction fronts in heterogeneous flows is tightly linked to the mixing dynamics governed by the combined action of stretching, diffusion and dispersion. Focusing on porous media flows, with a new experimental setup we show that the invading solute is organized into stretched lamellae, whose deformation and coalescence control the effective reaction kinetics of the mixing limited bimolecular reaction A + B --> C. While the classic advection-dispersion theory predicts a scaling of the cumulative product mass of C as t^(0.5), we observe two distinct kinetics regimes, one characterized by the stretching and the other by the coalescence of the invading lamellae, in which the mass of C scales faster than t^(0.5). The proposed experimental set up allows for direct quantification of mixing and reactive transport in porous media with a high spatial resolution, at the pore scale. The analogous two dimensional porous medium consists in a Hele-Shaw cell containing a single layer of cylindrical solid grains built by soft lithography. On the one hand, the measurement of the local, intra-pore, conservative concentration field is done using a fluorescent tracer. On the other hand, considering a fast bimolecular advection-dispersion reaction A + B --> C occurring as A displaces B, we quantify the reaction kinetics from the spatially-resolved measurement of the pore scale reaction rate, using a chemiluminescent reaction.

The classic: Bone morphogenetic protein.

Science.gov (United States)

Urist, Marshall R; Strates, Basil S

2009-12-01

This Classic Article is a reprint of the original work by Marshall R. Urist and Basil S. Strates, Bone Morphogenetic Protein. An accompanying biographical sketch of Marshall R. Urist, MD is available at DOI 10.1007/s11999-009-1067-4; a second Classic Article is available at DOI 10.1007/s11999-009-1069-2; and a third Classic Article is available at DOI 10.1007/s11999-009-1070-9. The Classic Article is copyright 1971 by Sage Publications Inc. Journals and is reprinted with permission from Urist MR, Strates BS. Bone morphogenetic protein. J Dent Res. 1971;50:1392-1406.

Kinetics of the Dynamical Information Shannon Entropy for Complex Systems

International Nuclear Information System (INIS)

Yulmetyev, R.M.; Yulmetyeva, D.G.

1999-01-01

Kinetic behaviour of dynamical information Shannon entropy is discussed for complex systems: physical systems with non-Markovian property and memory in correlation approximation, and biological and physiological systems with sequences of the Markovian and non-Markovian random noises. For the stochastic processes, a description of the information entropy in terms of normalized time correlation functions is given. The influence and important role of two mutually dependent channels of the entropy change, correlation (creation or generation of correlations) and anti-correlation (decay or annihilation of correlation) is discussed. The method developed here is also used in analysis of the density fluctuations in liquid cesium obtained from slow neutron scattering data, fractal kinetics of the long-range fluctuation in the short-time human memory and chaotic dynamics of R-R intervals of human ECG. (author)

Hydrogen desorption kinetics from zirconium hydride and zirconium metal in vacuum

International Nuclear Information System (INIS)

Hu, Xunxiang; Terrani, Kurt A.; Wirth, Brian D.

2014-01-01

The kinetics of hydrogen desorption from zirconium hydride is important in many nuclear design and safety applications. In this paper, a coordinated experimental and modeling study has been used to explicitly demonstrate the applicability of existing kinetic theories for hydrogen desorption from zirconium hydride and α-zirconium. A static synthesis method was used to produce δ-zirconium hydride, and the crystallographic phases of the zirconium hydride were confirmed by X-ray diffraction (XRD). Three obvious stages, involving δ-zirconium hydride, a two-phase region, and α-zirconium, were observed in the hydrogen desorption spectra of two zirconium hydride specimens with H/Zr ratios of 1.62 and 1.64, respectively, which were obtained using thermal desorption spectroscopy (TDS). A continuous, one-dimensional, two-phase moving boundary model, coupled with the zero- and second-order kinetics of hydrogen desorption from δ-zirconium hydride and α-zirconium, respectively, has been developed to reproduce the TDS experimental results. A comparison of the modeling predictions with the experimental results indicates that a zero-order kinetic model is valid for description of hydrogen flux away from the δ-hydride phase, and that a second-order kinetic model works well for hydrogen desorption from α-Zr if the activation energy of desorption is optimized to be 70% of the value reported in the literature

Particle spin dynamics as the grassmann variant of classical mechanics

International Nuclear Information System (INIS)

Berezin, F.A.; Marinov, M.S.

1976-01-01

A generalization of the calssical mechanics is presented. The dynamical variables are assumed to be elements of an algebra with anticommuting generators (The Grassmann algebra). The action functional and the Poisson brackets are defined. The equations of motion are deduced from the variational principle. The dynamics is described also by means of the Liouville equation for the phase-space distribution. The canonical quantization lead phase-space path integral approach to the quantum theory is also formulated. The theory is applied to describe the particle spin. Classical description of the spin precession and of the spin-orbital forces is given. The phase-space distribution and the interaction with an external field are also considered

Mean-field approximation for spacing distribution functions in classical systems

Science.gov (United States)

González, Diego Luis; Pimpinelli, Alberto; Einstein, T. L.

2012-01-01

We propose a mean-field method to calculate approximately the spacing distribution functions p(n)(s) in one-dimensional classical many-particle systems. We compare our method with two other commonly used methods, the independent interval approximation and the extended Wigner surmise. In our mean-field approach, p(n)(s) is calculated from a set of Langevin equations, which are decoupled by using a mean-field approximation. We find that in spite of its simplicity, the mean-field approximation provides good results in several systems. We offer many examples illustrating that the three previously mentioned methods give a reasonable description of the statistical behavior of the system. The physical interpretation of each method is also discussed.

Kinetic theory and simulation of multi-species plasmas in tokamaks excited with ICRF microwaves

International Nuclear Information System (INIS)

Kerbel, G.D.; McCoy, M.G.

1984-01-01

This paper presents a description of a bounce-averaged Fokker-Planck quasilinear model for the kinetic description of tokamak plasmas. The non-linear collision and quasilinear resonant diffusion operators are represented in a form conducive to numerical solution with specific attention to the treatment of the boundary layer separating trapped and passing orbit regions of velocity space. The numerical techniques employed are detailed in so far as they constitute significant departure from those used in the conventional uniform magnetic field case. Examples are given to illustrate the combined effects of collisional and resonant diffusion

Quantum classical correspondence in nonrelativistic electrodynamics

International Nuclear Information System (INIS)

Ritchie, B.; Weatherford, C.A.

1999-01-01

A form of classical electrodynamic field exists which gives exact agreement with the operator field of quantum electrodynamics (QED) for the Lamb shift of a harmonically bound point electron. Here it is pointed out that this form of classical theory, with its physically acceptable interpretation, is the result of an unconventional resolution of a mathematically ambiguous term in classical field theory. Finally, a quantum classical correspondence principle is shown to exist in the sense that the classical field and expectation value of the QED operator field are identical, if retardation is neglected in the latter

A semi-classical treatment of dissipative processes based on Feynman's influence functional method

International Nuclear Information System (INIS)

Moehring, K.; Smilansky, U.

1980-01-01

We develop a semi-classical treatment of dissipative processes based on Feynman's influence functional method. Applying it to deep inelastic collisions of heavy ions we study inclusive transition probabilities corresponding to a situation when only a set of collective variables is specified in the initial and final states. We show that the inclusive probabilities as well as the final energy distributions can be expressed in terms of properly defined classical paths and their corresponding stability fields. We present a uniform approximation for the study of quantal interference and focussing phenomena and discuss the conditions under which they are to be expected. For the dissipation mechanism we study three approximations - the harmonic model for the internal system, the weak coupling (diabatic) and the adiabatic coupling. We show that these three limits can be treated in the same manner. We finally compare the present formalism with other methodes as were introduced for the description of dissipation in deep inelastic collisions. (orig.)

Semi-continuous and multigroup models in extended kinetic theory

International Nuclear Information System (INIS)

Koller, W.

2000-01-01

The aim of this thesis is to study energy discretization of the Boltzmann equation in the framework of extended kinetic theory. In case that external fields can be neglected, the semi- continuous Boltzmann equation yields a sound basis for various generalizations. Semi-continuous kinetic equations describing a three component gas mixture interacting with monochromatic photons as well as a four component gas mixture undergoing chemical reactions are established and investigated. These equations reflect all major aspects (conservation laws, equilibria, H-theorem) of the full continuous kinetic description. For the treatment of the spatial dependence, an expansion of the distribution function in terms of Legendre polynomials is carried out. An implicit finite differencing scheme is combined with the operator splitting method. The obtained numerical schemes are applied to the space homogeneous study of binary chemical reactions and to spatially one-dimensional laser-induced acoustic waves. In the presence of external fields, the developed overlapping multigroup approach (with the spline-interpolation as its extension) is well suited for numerical studies. Furthermore, two formulations of consistent multigroup approaches to the non-linear Boltzmann equation are presented. (author)

Observational study of differences in head position for high notes in famous classical and non-classical male singers.

Science.gov (United States)

Amarante Andrade, Pedro; Švec, Jan G

2016-07-01

Differences in classical and non-classical singing are due primarily to aesthetic style requirements. The head position can affect the sound quality. This study aimed at comparing the head position for famous classical and non-classical male singers performing high notes. Images of 39 Western classical and 34 non-classical male singers during live performances were obtained from YouTube. Ten raters evaluated the frontal rotational head position (depression versus elevation) and transverse head position (retraction versus protraction) visually using a visual analogue scale. The results showed a significant difference for frontal rotational head position. Most non-classical singers in the sample elevated their heads for high notes while the classical singers were observed to keep it around the neutral position. This difference may be attributed to different singing techniques and phonatory system adjustments utilized by each group.

Flow chemistry and polymer-supported pseudoenantiomeric acylating agents enable parallel kinetic resolution of chiral saturated N-heterocycles

Science.gov (United States)

Kreituss, Imants; Bode, Jeffrey W.

2017-05-01

Kinetic resolution is a common method to obtain enantioenriched material from a racemic mixture. This process will deliver enantiopure unreacted material when the selectivity factor of the process, s, is greater than 1; however, the scalemic reaction product is often discarded. Parallel kinetic resolution, on the other hand, provides access to two enantioenriched products from a single racemic starting material, but suffers from a variety of practical challenges regarding experimental design that limit its applications. Here, we describe the development of a flow-based system that enables practical parallel kinetic resolution of saturated N-heterocycles. This process provides access to both enantiomers of the starting material in good yield and high enantiopurity; similar results with classical kinetic resolution would require selectivity factors in the range of s = 100. To achieve this, two immobilized quasienantiomeric acylating agents were designed for the asymmetric acylation of racemic saturated N-heterocycles. Using the flow-based system we could efficiently separate, recover and reuse the polymer-supported reagents. The amide products could be readily separated and hydrolysed to the corresponding amines without detectable epimerization.

Gauge fixing and classical dynamical r-matrices in (2+1)-gravity

International Nuclear Information System (INIS)

Schoenfeld, Torsten

2012-01-01

We apply the Dirac gauge fixing procedure to the combinatorial description of the moduli space of flat ISO(2,1)-connections. This is motivated by two goals: one originates from physics while the other is of a mathematical nature. The first goal is to investigate the application of gauge fixing in Lorentzian (2+1)-gravity with vanishing cosmological constant, whose phase space is closely related to the moduli space of flat ISO(2,1)-connections. To this end, we first show that specifying gauge fixing conditions amounts to introducing an observer into the theory. Then we determine explicit expressions for the Dirac brackets of specific sets of gauge fixing conditions and give a physical interpretation of the results in terms of the geometry of spacetimes and their effective symmetries. To investigate the mathematical structures underlying the Dirac gauge fixing procedure we then consider general gauge fixing conditions. We first show that the resulting Dirac brackets are in one-to-one correspondence with solutions of the classical dynamical Yang-Baxter equation. We then analyze the relation between the Dirac brackets associated with two different sets of gauge fixing conditions. We find that this relation is given by the action of certain dynamical Poincare transformations which generalize the gauge transformations of classical dynamical r-matrices. Using these transformations, we give a classification of all resulting Dirac brackets and the associated solutions of the classical dynamical Yang-Baxter equation.

Gauge fixing and classical dynamical r-matrices in (2+1)-gravity

Energy Technology Data Exchange (ETDEWEB)

Schoenfeld, Torsten

2012-11-20

We apply the Dirac gauge fixing procedure to the combinatorial description of the moduli space of flat ISO(2,1)-connections. This is motivated by two goals: one originates from physics while the other is of a mathematical nature. The first goal is to investigate the application of gauge fixing in Lorentzian (2+1)-gravity with vanishing cosmological constant, whose phase space is closely related to the moduli space of flat ISO(2,1)-connections. To this end, we first show that specifying gauge fixing conditions amounts to introducing an observer into the theory. Then we determine explicit expressions for the Dirac brackets of specific sets of gauge fixing conditions and give a physical interpretation of the results in terms of the geometry of spacetimes and their effective symmetries. To investigate the mathematical structures underlying the Dirac gauge fixing procedure we then consider general gauge fixing conditions. We first show that the resulting Dirac brackets are in one-to-one correspondence with solutions of the classical dynamical Yang-Baxter equation. We then analyze the relation between the Dirac brackets associated with two different sets of gauge fixing conditions. We find that this relation is given by the action of certain dynamical Poincare transformations which generalize the gauge transformations of classical dynamical r-matrices. Using these transformations, we give a classification of all resulting Dirac brackets and the associated solutions of the classical dynamical Yang-Baxter equation.

Kinetics of transformations nucleated on random parallel planes: analytical modelling and computer simulation

International Nuclear Information System (INIS)

Rios, Paulo R; Assis, Weslley L S; Ribeiro, Tatiana C S; Villa, Elena

2012-01-01

In a classical paper, Cahn derived expressions for the kinetics of transformations nucleated on random planes and lines. He used those as a model for nucleation on the boundaries, edges and vertices of a polycrystal consisting of equiaxed grains. In this paper it is demonstrated that Cahn's expression for random planes may be used in situations beyond the scope envisaged in Cahn's original paper. For instance, we derived an expression for the kinetics of transformations nucleated on random parallel planes that is identical to that formerly obtained by Cahn considering random planes. Computer simulation of transformations nucleated on random parallel planes is carried out. It is shown that there is excellent agreement between simulated results and analytical solutions. Such an agreement is to be expected if both the simulation and the analytical solution are correct. (paper)

Flywheels for Low-Speed Kinetic Energy Storage Systems

Energy Technology Data Exchange (ETDEWEB)

Portnov, G.; Cruz, I.; Arias, F.; Fiffe, R. P.

2003-07-01

A brief overview of different steel disc-type flywheels is presented. It contents the analysis of relationship between stress-state and kinetic energy of rotating body, comparison of the main characteristics of flywheels and description of their optimization procedures. It is shown that profiles of the discs calculated on a basis of plane stress-state assumption may be considered only as a starting point for its further improvement using 3-D approach. The aim of the review is to provide a designer for a insight into problem of shaping of steel flywheels. (Author) 19 refs.

Kinetics of passivation of a nickel-base alloy in high temperature water

Energy Technology Data Exchange (ETDEWEB)

Machet, A. [Laboratoire de Physico-Chimie des Surfaces, CNRS-ENSCP (UMR 7045), Ecole Nationale Superieure de Chimie de Paris, Universite Pierre et Marie Curie, F-75231 Paris cedex 05 (France)]|[Framatome ANP, Tour AREVA, F-92084 Paris-la-Defense (France); Galtayries, A.; Zanna, S.; Marcus, P. [Laboratoire de Physico-Chimie des Surfaces, CNRS-ENSCP (UMR 7045), Ecole Nationale Superieure de Chimie de Paris, Universite Pierre et Marie Curie, F-75231 Paris cedex 05 (France); Jolivet, P.; Scott, P. [Framatome ANP, Tour AREVA, F-92084 Paris-la-Defense (France); Foucault, M.; Combrade, P. [Framatome ANP, Centre Technique, F-71205 Le Creusot (France)

2004-07-01

The kinetics of passivation and the composition of the surface oxide layer, in high temperature and high pressure water, of a nickel-chromium-iron alloy (Alloy 600) have been investigated by X-ray Photoelectron Spectroscopy (XPS). The samples have been exposed for short (0.4 - 8.2 min) and longer (0 - 400 hours) time periods to high temperature (325 deg. C) and high pressure water (containing boron and lithium) under controlled hydrogen pressure. The experiments were performed in two types of autoclaves: a novel autoclave dedicated to short time periods and a classic static autoclave for the longer exposures. In the initial stage of passivation, a continuous ultra-thin layer of chromium oxide (Cr{sub 2}O{sub 3}) is rapidly formed on the surface with an external layer of chromium hydroxide. For longer times of passivation, the oxide layer is in a duplex form with an internal chromium oxide layer and an external layer of nickel hydroxide. The growth of the internal Cr{sub 2}O{sub 3} oxide layer has been fitted by three classical models (parabolic, logarithmic and inverse logarithmic laws) for the short passivation times, and the growth curves have been extrapolated to longer passivation periods. The comparison with the experimental results reveals that the kinetics of passivation of Alloy 600 in high temperature and high pressure water, for passivation times up to 400 hours, is well fitted by a logarithmic growth law. (authors)

Kinetics of passivation of a nickel-base alloy in high temperature water

International Nuclear Information System (INIS)

Machet, A.; Galtayries, A.; Zanna, S.; Marcus, P.; Jolivet, P.; Scott, P.; Foucault, M.; Combrade, P.

2004-01-01

The kinetics of passivation and the composition of the surface oxide layer, in high temperature and high pressure water, of a nickel-chromium-iron alloy (Alloy 600) have been investigated by X-ray Photoelectron Spectroscopy (XPS). The samples have been exposed for short (0.4 - 8.2 min) and longer (0 - 400 hours) time periods to high temperature (325 deg. C) and high pressure water (containing boron and lithium) under controlled hydrogen pressure. The experiments were performed in two types of autoclaves: a novel autoclave dedicated to short time periods and a classic static autoclave for the longer exposures. In the initial stage of passivation, a continuous ultra-thin layer of chromium oxide (Cr 2 O 3 ) is rapidly formed on the surface with an external layer of chromium hydroxide. For longer times of passivation, the oxide layer is in a duplex form with an internal chromium oxide layer and an external layer of nickel hydroxide. The growth of the internal Cr 2 O 3 oxide layer has been fitted by three classical models (parabolic, logarithmic and inverse logarithmic laws) for the short passivation times, and the growth curves have been extrapolated to longer passivation periods. The comparison with the experimental results reveals that the kinetics of passivation of Alloy 600 in high temperature and high pressure water, for passivation times up to 400 hours, is well fitted by a logarithmic growth law. (authors)

Markkinointiviestintäsuunnitelma : Classic Coffee Oy

OpenAIRE

Eerola, Laura

2015-01-01

Opinnäytetyön aiheena oli laatia markkinointiviestintäsuunnitelma kalenterivuodelle 2016 vuosikellon muodossa, toimintansa jo vakiinnuttaneelle Classic Coffee Oy:lle. Classic Coffee Oy on vuonna 2011 perustettu, Tampereella toimiva kahvila-alan yritys joka tarjoaa lounaskahvilatoiminnan lisäksi laadukkaita konditoria-palveluita, yritys- ja kokoustarjoiluja sekä tilavuokrausta. Classic Coffee Oy:llä on yksi kahvila, Classic Coffee Tampella. Kahvila sijaitsee Tampellassa, Tampereen keskustan vä...

Classical higher-order processes

DEFF Research Database (Denmark)

Montesi, Fabrizio

2017-01-01

Classical Processes (CP) is a calculus where the proof theory of classical linear logic types processes à la Π-calculus, building on a Curry-Howard correspondence between session types and linear propositions. We contribute to this research line by extending CP with process mobility, inspired by ...

Accuracy and precision of protein–ligand interaction kinetics determined from chemical shift titrations

International Nuclear Information System (INIS)

Markin, Craig J.; Spyracopoulos, Leo

2012-01-01

NMR-monitored chemical shift titrations for the study of weak protein–ligand interactions represent a rich source of information regarding thermodynamic parameters such as dissociation constants (K D ) in the micro- to millimolar range, populations for the free and ligand-bound states, and the kinetics of interconversion between states, which are typically within the fast exchange regime on the NMR timescale. We recently developed two chemical shift titration methods wherein co-variation of the total protein and ligand concentrations gives increased precision for the K D value of a 1:1 protein–ligand interaction (Markin and Spyracopoulos in J Biomol NMR 53: 125–138, 2012). In this study, we demonstrate that classical line shape analysis applied to a single set of 1 H– 15 N 2D HSQC NMR spectra acquired using precise protein–ligand chemical shift titration methods we developed, produces accurate and precise kinetic parameters such as the off-rate (k off ). For experimentally determined kinetics in the fast exchange regime on the NMR timescale, k off ∼ 3,000 s −1 in this work, the accuracy of classical line shape analysis was determined to be better than 5 % by conducting quantum mechanical NMR simulations of the chemical shift titration methods with the magnetic resonance toolkit GAMMA. Using Monte Carlo simulations, the experimental precision for k off from line shape analysis of NMR spectra was determined to be 13 %, in agreement with the theoretical precision of 12 % from line shape analysis of the GAMMA simulations in the presence of noise and protein concentration errors. In addition, GAMMA simulations were employed to demonstrate that line shape analysis has the potential to provide reasonably accurate and precise k off values over a wide range, from 100 to 15,000 s −1 . The validity of line shape analysis for k off values approaching intermediate exchange (∼100 s −1 ), may be facilitated by more accurate K D measurements from NMR

Accuracy and precision of protein-ligand interaction kinetics determined from chemical shift titrations.

Science.gov (United States)

Markin, Craig J; Spyracopoulos, Leo

2012-12-01

NMR-monitored chemical shift titrations for the study of weak protein-ligand interactions represent a rich source of information regarding thermodynamic parameters such as dissociation constants (K ( D )) in the micro- to millimolar range, populations for the free and ligand-bound states, and the kinetics of interconversion between states, which are typically within the fast exchange regime on the NMR timescale. We recently developed two chemical shift titration methods wherein co-variation of the total protein and ligand concentrations gives increased precision for the K ( D ) value of a 1:1 protein-ligand interaction (Markin and Spyracopoulos in J Biomol NMR 53: 125-138, 2012). In this study, we demonstrate that classical line shape analysis applied to a single set of (1)H-(15)N 2D HSQC NMR spectra acquired using precise protein-ligand chemical shift titration methods we developed, produces accurate and precise kinetic parameters such as the off-rate (k ( off )). For experimentally determined kinetics in the fast exchange regime on the NMR timescale, k ( off ) ~ 3,000 s(-1) in this work, the accuracy of classical line shape analysis was determined to be better than 5 % by conducting quantum mechanical NMR simulations of the chemical shift titration methods with the magnetic resonance toolkit GAMMA. Using Monte Carlo simulations, the experimental precision for k ( off ) from line shape analysis of NMR spectra was determined to be 13 %, in agreement with the theoretical precision of 12 % from line shape analysis of the GAMMA simulations in the presence of noise and protein concentration errors. In addition, GAMMA simulations were employed to demonstrate that line shape analysis has the potential to provide reasonably accurate and precise k ( off ) values over a wide range, from 100 to 15,000 s(-1). The validity of line shape analysis for k ( off ) values approaching intermediate exchange (~100 s(-1)), may be facilitated by more accurate K ( D ) measurements

Multi-scale modelling of ions in solution: from atomistic descriptions to chemical engineering

International Nuclear Information System (INIS)

Molina, J.J.

2011-01-01

Ions in solution play a fundamental role in many physical, chemical, and biological processes. The PUREX process used in the nuclear industry to the treatment of spent nuclear fuels is considered as an example. For industrial applications these systems are usually described using simple analytical models which are fitted to reproduce the available experimental data. In this work, we propose a multi-scale coarse graining procedure to derive such models from atomistic descriptions. First, parameters for classical force-fields of ions in solution are extracted from ab-initio calculations. Effective (McMillan-Mayer) ion-ion potentials are then derived from radial distribution functions measured in classical molecular dynamics simulations, allowing us to define an implicit solvent model of electrolytes. Finally, perturbation calculations are performed to define the best possible representation for these systems, in terms of charged hard-sphere models. Our final model is analytical and contains no free 'fitting' parameters. It shows good agreement with the exact results obtained from Monte-Carlo simulations for the thermodynamic and structural properties. Development of a similar model for the electrolyte viscosity, from information derived from atomistic descriptions, is also introduced. (author)

Description of Hymenolepis microstoma (Nottingham strain: a classical tapeworm model for research in the genomic era

Directory of Open Access Journals (Sweden)

Olson Peter D

2010-12-01

Full Text Available Abstract Background Hymenolepis microstoma (Dujardin, 1845 Blanchard, 1891, the mouse bile duct tapeworm, is a rodent/beetle-hosted laboratory model that has been used in research and teaching since its domestication in the 1950s. Recent characterization of its genome has prompted us to describe the specific strain that underpins these data, anchoring its identity and bringing the 150+ year-old original description up-to-date. Results Morphometric and ultrastructural analyses were carried out on laboratory-reared specimens of the 'Nottingham' strain of Hymenolepis microstoma used for genome characterization. A contemporary description of the species is provided including detailed illustration of adult anatomy and elucidation of its taxonomy and the history of the specific laboratory isolate. Conclusions Our work acts to anchor the specific strain from which the H. microstoma genome has been characterized and provides an anatomical reference for researchers needing to employ a model tapeworm system that enables easy access to all stages of the life cycle. We review its classification, life history and development, and briefly discuss the genome and other model systems being employed at the beginning of a genomic era in cestodology.

Shock wave, fluid instability and implosion studies with a kinetic particle approach

Science.gov (United States)

Sagert, Irina; Even, Wesley P.; Strother, Terrance T.

2016-10-01

Many problems in laboratory plasma physics are subject to flows that move between the continuum and the kinetic regime. The correct description of these flows is crucial in order to capture their impact on the system's dynamical evolution. Examples are capsule implosions in inertial confinement fusion (ICF). Although their dynamics is predominantly shaped by shock waves and fluid instabilities, non-equilibrium flows in form of deuterium/tritium ions have been shown to play a significant role. We present recent studies with our Monte Carlo kinetic particle code that is designed to capture continuum and kinetic flows in large physical systems with possible applications in ICF studies. Discussed results will include standard shock wave and fluid instability tests and simulations that are adapted towards future ICF studies with comparisons to hydrodynamic simulations. This work used the Wolf TriLAB Capacity Cluster at LANL. I.S. acknowledges support through a Director's fellowship (20150741PRD3) from Los Alamos National Laboratory.

Local quantum channels preserving classical correlations

International Nuclear Information System (INIS)

Guo Zhihua; Cao Huaixin

2013-01-01

The aim of this paper is to discuss local quantum channels that preserve classical correlations. First, we give two equivalent characterizations of classical correlated states. Then we obtain the relationships among classical correlation-preserving local quantum channels, commutativity-preserving local quantum channels and commutativity-preserving quantum channels on each subsystem. Furthermore, for a two-qubit system, we show the general form of classical correlation-preserving local quantum channels. (paper)

Local hidden variable modelling, classicality, quantum separability and the original Bell inequality

International Nuclear Information System (INIS)

Loubenets, Elena R

2011-01-01

We introduce a general condition sufficient for the validity of the original Bell inequality (1964) in a local hidden variable (LHV) frame. This condition can be checked experimentally and incorporates only as a particular case the assumption on perfect correlations or anticorrelations usually argued for this inequality in the literature. Specifying this general condition for a quantum bipartite case, we introduce the whole class of bipartite quantum states, separable and nonseparable, that (i) admit an LHV description under any bipartite measurements with two settings per site; (ii) do not necessarily exhibit perfect correlations and may even have a negative correlation function if the same quantum observable is measured at both sites, but (iii) satisfy the 'perfect correlation' version of the original Bell inequality for any three bounded quantum observables A 1 , A 2 = B 1 , B 2 at sites 'A' and 'B', respectively. Analysing the validity of this general LHV condition under classical and quantum correlation scenarios with the same physical context, we stress that, unlike the Clauser-Horne-Shimony-Holt inequality, the original Bell inequality distinguishes between classicality and quantum separability.

Thermodynamics versus Kinetics Dichotomy in the Linear Self-Assembly of Mixed Nanoblocks.

Science.gov (United States)

Ruiz, L; Keten, S

2014-06-05

We report classical and replica exchange molecular dynamics simulations that establish the mechanisms underpinning the growth kinetics of a binary mix of nanorings that form striped nanotubes via self-assembly. A step-growth coalescence model captures the growth process of the nanotubes, which suggests that high aspect ratio nanostructures can grow by obeying the universal laws of self-similar coarsening, contrary to systems that grow through nucleation and elongation. Notably, striped patterns do not depend on specific growth mechanisms, but are governed by tempering conditions that control the likelihood of depropagation and fragmentation.

Classicalization of Gravitons and Goldstones

CERN Document Server

Dvali, Gia; Kehagias, Alex

2011-01-01

We establish a close parallel between classicalization of gravitons and derivatively-coupled Nambu-Goldstone-type scalars. We show, that black hole formation in high energy scattering process represents classicalization with the classicalization radius given by Schwarzschild radius of center of mass energy, and with the precursor of black hole entropy being given by number of soft quanta composing this classical configuration. Such an entropy-equivalent is defined for scalar classicalons also and is responsible for exponential suppression of their decay into small number of final particles. This parallel works in both ways. For optimists that are willing to hypothesize that gravity may indeed self-unitarize at high energies via black hole formation, it illustrates that the Goldstones may not be much different in this respect, and they classicalize essentially by similar dynamics as gravitons. In the other direction, it may serve as an useful de-mystifier of via-black-hole-unitarization process and of the role...

Classical spins in superconductors

Energy Technology Data Exchange (ETDEWEB)

Shiba, H [Tokyo Univ.; Maki, K

1968-08-01

It is shown that there exists a localized excited state in the energy gap in a superconductor with a classical spin. At finite concentration localized excited states around classical spins form an impurity band. The process of growth of the impurity band and its effects on observable quantities are investigated.

CLASSICS

Indian Academy of Sciences (India)

2013-11-11

Nov 11, 2013 ... Polanyi's classic paper, co-authored by Henry Eyring, reproduced in this ... spatial conf guration of the atoms in terms of the energy function of the diatomic .... The present communication deals with the construction of such .... These three contributions are complemented by a fourth term if one takes into.

Differential equation methods for simulation of GFP kinetics in non-steady state experiments.

Science.gov (United States)

Phair, Robert D

2018-03-15

Genetically encoded fluorescent proteins, combined with fluorescence microscopy, are widely used in cell biology to collect kinetic data on intracellular trafficking. Methods for extraction of quantitative information from these data are based on the mathematics of diffusion and tracer kinetics. Current methods, although useful and powerful, depend on the assumption that the cellular system being studied is in a steady state, that is, the assumption that all the molecular concentrations and fluxes are constant for the duration of the experiment. Here, we derive new tracer kinetic analytical methods for non-steady state biological systems by constructing mechanistic nonlinear differential equation models of the underlying cell biological processes and linking them to a separate set of differential equations governing the kinetics of the fluorescent tracer. Linking the two sets of equations is based on a new application of the fundamental tracer principle of indistinguishability and, unlike current methods, supports correct dependence of tracer kinetics on cellular dynamics. This approach thus provides a general mathematical framework for applications of GFP fluorescence microscopy (including photobleaching [FRAP, FLIP] and photoactivation to frequently encountered experimental protocols involving physiological or pharmacological perturbations (e.g., growth factors, neurotransmitters, acute knockouts, inhibitors, hormones, cytokines, and metabolites) that initiate mechanistically informative intracellular transients. When a new steady state is achieved, these methods automatically reduce to classical steady state tracer kinetic analysis. © 2018 Phair. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

Explosive Boiling of Superheated Cryogenic Liquids

CERN Document Server

Baidakov, V G

2007-01-01

The monograph is devoted to the description of the kinetics of spontaneous boiling of superheated liquefied gases and their solutions. Experimental results are given on the temperature of accessible superheating, the limits of tensile strength of liquids due to processes of cavitation and the rates of nucleation of classical and quantum liquids. The kinetics of evolution of the gas phase is studied in detail for solutions of cryogenic liquids and gas-saturated fluids. The properties of the critical clusters (bubbles of critical sizes) of the newly evolving gas phase are analyzed for initial st

Kinetic description of flow past a micro-plate

International Nuclear Information System (INIS)

Christlieb, Andrew J.; Hitchon, W. Nicholas G.; Boyd, Iain D.; Sun Quanhua

2004-01-01

In this work we discuss a novel numerical scheme and present numerical results for the problem of 'high' (of order unity) Knudsen number, Kn=λ/L, low velocity gas flow past a micro-plate. The scheme used here is similar to one employed in the past to examine heat flow, but in order to deal with momentum transport in the vicinity of a plate, new techniques had to be developed. These include a new scheme for finding 'transition probabilities', which eliminates some forms of numerical diffusion, and a method for handling reflections off surfaces which preserves the essential properties of the flow. The purpose of the paper is to present these methods and examine their performance. The method is found to function well, but the results indicate that the collision operator which is employed here must be improved in order to obtain accurate results for the drag. Low speed neutral particle transport, in long mean free path (LMFP) environments, presents challenges for well-established techniques, such as the direct simulation Monte Carlo (DSMC) method. In particular, at low flow velocities, statistical methods suffer from noise that may render them impractical in LMFP environments. Solution of the Boltzmann equation is the alternative to these statistical methods. As computing power increases, Boltzmann-based approaches become more accessible. We discuss here a novel non-statistical (no random numbers are used) kinetic model for particle transport and explore its accuracy and sensitivity to resolution and other details of its implementation. The model is an enhanced version of the transition probability matrix (TPM) method. The results generated by the TPM are compared with the information preservation (IP) method, the Navier-Stokes (NS) slip model and when applicable to DSMC. We provide a qualitative comparison of the models and then we compare the results of the different models for various Kn for flow past a plate. For Kn in the slip flow regime, the TPM, IP and NS

Structural insights into the cubic-hexagonal phase transition kinetics of monoolein modulated by sucrose solutions.

Science.gov (United States)

Reese, Caleb W; Strango, Zachariah I; Dell, Zachary R; Tristram-Nagle, Stephanie; Harper, Paul E

2015-04-14

Using DSC (differential scanning calorimetry), we measure the kinetics of the cubic-HII phase transition of monoolein in bulk sucrose solutions. We find that the transition temperature is dramatically lowered, with each 1 mol kg(-1) of sucrose concentration dropping the transition by 20 °C. The kinetics of this transition also slow greatly with increasing sucrose concentration. For low sucrose concentrations, the kinetics are asymmetric, with the cooling (HII-cubic) transition taking twice as long as the heating (cubic-HII) transition. This asymmetry in transition times is reduced for higher sucrose concentrations. The cooling transition exhibits Avrami exponents in the range of 2 to 2.5 and the heating transition shows Avrami exponents ranging from 1 to 3. A classical Avrami interpretation would be that these processes occur via a one or two dimensional pathway with variable nucleation rates. A non-classical perspective would suggest that these exponents reflect the time dependence of pore formation (cooling) and destruction (heating). New density measurements of monoolein show that the currently accepted value is about 5% too low; this has substantial implications for electron density modeling. Structural calculations indicate that the head group area and lipid length in the cubic-HII transition shrink by about 12% and 4% respectively; this reduction is practically the same as that seen in a lipid with a very different molecular structure (rac-di-12:0 β-GlcDAG) that makes the same transition. Thermodynamic considerations suggest there is a hydration shell about one water molecule thick in front of the lipid head groups in both the cubic and HII phases.

Investigation of binary solid phases by calorimetry and kinetic modelling

OpenAIRE

Matovic, M.

2007-01-01

The traditional methods for the determination of liquid-solid phase diagrams are based on the assumption that the overall equilibrium is established between the phases. However, the result of the crystallization of a liquid mixture will typically be a non-equilibrium or metastable state of the solid. For a proper description of the crystallization process the equilibrium approach is insufficient and a kinetic approach is actually required. In this work, we show that during slow crystallizatio...

Measuring kinetic energy changes in the mesoscale with low acquisition rates

Energy Technology Data Exchange (ETDEWEB)

Roldán, É. [ICFO–Institut de Ciències Fotòniques, Mediterranean Technology Park, Av. Carl Friedrich Gauss 3, 08860 Castelldefels (Barcelona) (Spain); GISC–Grupo Interdisciplinar de Sistemas Complejos, Madrid (Spain); Martínez, I. A.; Rica, R. A., E-mail: rul@ugr.es [ICFO–Institut de Ciències Fotòniques, Mediterranean Technology Park, Av. Carl Friedrich Gauss 3, 08860 Castelldefels (Barcelona) (Spain); Dinis, L. [GISC–Grupo Interdisciplinar de Sistemas Complejos, Madrid (Spain); Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, 28040 Madrid (Spain)

2014-06-09

We report on the measurement of the average kinetic energy changes in isothermal and non-isothermal quasistatic processes in the mesoscale, realized with a Brownian particle trapped with optical tweezers. Our estimation of the kinetic energy change allows to access to the full energetic description of the Brownian particle. Kinetic energy estimates are obtained from measurements of the mean square velocity of the trapped bead sampled at frequencies several orders of magnitude smaller than the momentum relaxation frequency. The velocity is tuned applying a noisy electric field that modulates the amplitude of the fluctuations of the position and velocity of the Brownian particle, whose motion is equivalent to that of a particle in a higher temperature reservoir. Additionally, we show that the dependence of the variance of the time-averaged velocity on the sampling frequency can be used to quantify properties of the electrophoretic mobility of a charged colloid. Our method could be applied to detect temperature gradients in inhomogeneous media and to characterize the complete thermodynamics of biological motors and of artificial micro and nanoscopic heat engines.

Kinetic Typography

DEFF Research Database (Denmark)

van Leeuwen, Theo; Djonov, Emilia

2014-01-01

After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images.......After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....

Twisted classical Poincare algebras

International Nuclear Information System (INIS)

Lukierski, J.; Ruegg, H.; Tolstoy, V.N.; Nowicki, A.

1993-11-01

We consider the twisting of Hopf structure for classical enveloping algebra U(g), where g is the inhomogeneous rotations algebra, with explicite formulae given for D=4 Poincare algebra (g=P 4 ). The comultiplications of twisted U F (P 4 ) are obtained by conjugating primitive classical coproducts by F element of U(c)xU(c), where c denotes any Abelian subalgebra of P 4 , and the universal R-matrices for U F (P 4 ) are triangular. As an example we show that the quantum deformation of Poincare algebra recently proposed by Chaichian and Demiczev is a twisted classical Poincare algebra. The interpretation of twisted Poincare algebra as describing relativistic symmetries with clustered 2-particle states is proposed. (orig.)

Quantum symmetries of classical spaces

OpenAIRE

Bhowmick, Jyotishman; Goswami, Debashish; Roy, Subrata Shyam

2009-01-01

We give a general scheme for constructing faithful actions of genuine (noncommutative as $C^*$ algebra) compact quantum groups on classical topological spaces. Using this, we show that: (i) a compact connected classical space can have a faithful action by a genuine compact quantum group, and (ii) there exists a spectral triple on a classical connected compact space for which the quantum group of orientation and volume preserving isometries (in the sense of \\cite{qorient}) is a genuine quantum...

Doing classical theology in context

Directory of Open Access Journals (Sweden)

Gerrit Neven

2007-05-01

Full Text Available This article is about doing classical theology in context. The weight of my argument is that classical text of Karl Barth’s theology is great intellectual text means: being addressed by this text in the context in which one lives. The basic keywords that constitute a rule for reading those texts are “equality”, “event” and “re-contextualisation”. The article contains two sections: The first section elaborates statements about the challenge of the event and the project of rereading classics by way of recontextualisation. The word “event” refers to true and innovating moments in history which one can share, or which one can betray. Classical texts always share in those liberative moments. The question then is in what sense do they present a challenge to the contemporary reader. The second section elaborates the position of man as central and all decisive for doing theology in context now. In this section, the author appeals for a renewal of the classical anthropology as an anthropology of hope. This anthropology contradicts postmodern concepts of otherness.

TASK, 1-D Multigroup Diffusion or Transport Theory Reactor Kinetics with Delayed Neutron

International Nuclear Information System (INIS)

Buhl, A.R.; Hermann, O.W.; Hinton, R.J.; Dodds, H.L. Jr.; Robinson, J.C.; Lillie, R.A.

1975-01-01

1 - Description of problem or function: TASK solves the one-dimensional multigroup form of the reactor kinetics equations, using either transport or diffusion theory and allowing an arbitrary number of delayed neutron groups. The program can also be used to solve standard static problems efficiently such as eigenvalue problems, distributed source problems, and boundary source problems. Convergence problems associated with sources in highly multiplicative media are circumvented, and such problems are readily calculable. 2 - Method of solution: TASK employs a combination scattering and transfer matrix method to eliminate certain difficulties that arise in classical finite difference approximations. As such, within-group (inner) iterations are eliminated and solution convergence is independent of spatial mesh size. The time variable is removed by Laplace transformation. (A later version will permit direct time solutions.) The code can be run either in an outer iteration mode or in closed (non-iterative) form. The running mode is dictated by the number of groups times the number of angles, consistent with available storage. 3 - Restrictions on the complexity of the problem: The principal restrictions are available storage and computation time. Since the code is flexibly-dimensioned and has an outer iteration option there are no internal restrictions on group structure, quadrature, and number of ordinates. The flexible-dimensioning scheme allows optional use of core storage. The generalized cylindrical geometry option is not complete in Version I of the code. The feedback options and omega-mode search options are not included in Version I

Warm-fluid description of intense beam equilibrium and electrostatic stability properties

International Nuclear Information System (INIS)

Lund, S.M.; Davidson, R.C.

1998-01-01

A nonrelativistic warm-fluid model is employed in the electrostatic approximation to investigate the equilibrium and stability properties of an unbunched, continuously focused intense ion beam. A closed macroscopic model is obtained by truncating the hierarchy of moment equations by the assumption of negligible heat flow. Equations describing self-consistent fluid equilibria are derived and elucidated with examples corresponding to thermal equilibrium, the Kapchinskij endash Vladimirskij (KV) equilibrium, and the waterbag equilibrium. Linearized fluid equations are derived that describe the evolution of small-amplitude perturbations about an arbitrary equilibrium. Electrostatic stability properties are analyzed in detail for a cold beam with step-function density profile, and then for axisymmetric flute perturbations with ∂/∂θ=0 and ∂/∂z=0 about a warm-fluid KV beam equilibrium. The radial eigenfunction describing axisymmetric flute perturbations about the KV equilibrium is found to be identical to the eigenfunction derived in a full kinetic treatment. However, in contrast to the kinetic treatment, the warm-fluid model predicts stable oscillations. None of the instabilities that are present in a kinetic description are obtained in the fluid model. A careful comparison of the mode oscillation frequencies associated with the fluid and kinetic models is made in order to delineate which stability features of a KV beam are model-dependent and which may have general applicability. copyright 1998 American Institute of Physics

Kuang's Semi-Classical Formalism for Calculating Electron Capture Cross Sections: A Space- Physics Application

Science.gov (United States)

Barghouty, A. F.

2014-01-01

Accurate estimates of electroncapture cross sections at energies relevant to the modeling of the transport, acceleration, and interaction of energetic neutral atoms (ENA) in space (approximately few MeV per nucleon) and especially for multi-electron ions must rely on detailed, but computationally expensive, quantum-mechanical description of the collision process. Kuang's semi-classical approach is an elegant and efficient way to arrive at these estimates. Motivated by ENA modeling efforts for apace applications, we shall briefly present this approach along with sample applications and report on current progress.

Locking classical correlations in quantum States.

Science.gov (United States)

DiVincenzo, David P; Horodecki, Michał; Leung, Debbie W; Smolin, John A; Terhal, Barbara M

2004-02-13

We show that there exist bipartite quantum states which contain a large locked classical correlation that is unlocked by a disproportionately small amount of classical communication. In particular, there are (2n+1)-qubit states for which a one-bit message doubles the optimal classical mutual information between measurement results on the subsystems, from n/2 bits to n bits. This phenomenon is impossible classically. However, states exhibiting this behavior need not be entangled. We study the range of states exhibiting this phenomenon and bound its magnitude.

On Kinetic Slow Modes, Fluid Slow Modes, and Pressure-balanced Structures in the Solar Wind

Energy Technology Data Exchange (ETDEWEB)

Verscharen, Daniel [Space Science Center and Department of Physics, University of New Hampshire, Durham, NH 03824 (United States); Chen, Christopher H. K. [Department of Physics, Imperial College London, London SW7 2AZ (United Kingdom); Wicks, Robert T., E-mail: daniel.verscharen@unh.edu, E-mail: christopher.chen@imperial.ac.uk, E-mail: r.wicks@ucl.ac.uk [Mullard Space Science Laboratory, University College London, London WC1E 6BT (United Kingdom)

2017-05-10

Observations in the solar wind suggest that the compressive component of inertial-range solar-wind turbulence is dominated by slow modes. The low collisionality of the solar wind allows for nonthermal features to survive, which suggests the requirement of a kinetic plasma description. The least-damped kinetic slow mode is associated with the ion-acoustic (IA) wave and a nonpropagating (NP) mode. We derive analytical expressions for the IA-wave dispersion relation in an anisotropic plasma in the framework of gyrokinetics and then compare them to fully kinetic numerical calculations, results from two-fluid theory, and magnetohydrodynamics (MHD). This comparison shows major discrepancies in the predicted wave phase speeds from MHD and kinetic theory at moderate to high β . MHD and kinetic theory also dictate that all plasma normal modes exhibit a unique signature in terms of their polarization. We quantify the relative amplitude of fluctuations in the three lowest particle velocity moments associated with IA and NP modes in the gyrokinetic limit and compare these predictions with MHD results and in situ observations of the solar-wind turbulence. The agreement between the observations of the wave polarization and our MHD predictions is better than the kinetic predictions, which suggests that the plasma behaves more like a fluid in the solar wind than expected.

On Kinetic Slow Modes, Fluid Slow Modes, and Pressure-balanced Structures in the Solar Wind

International Nuclear Information System (INIS)

Verscharen, Daniel; Chen, Christopher H. K.; Wicks, Robert T.

2017-01-01

Observations in the solar wind suggest that the compressive component of inertial-range solar-wind turbulence is dominated by slow modes. The low collisionality of the solar wind allows for nonthermal features to survive, which suggests the requirement of a kinetic plasma description. The least-damped kinetic slow mode is associated with the ion-acoustic (IA) wave and a nonpropagating (NP) mode. We derive analytical expressions for the IA-wave dispersion relation in an anisotropic plasma in the framework of gyrokinetics and then compare them to fully kinetic numerical calculations, results from two-fluid theory, and magnetohydrodynamics (MHD). This comparison shows major discrepancies in the predicted wave phase speeds from MHD and kinetic theory at moderate to high β . MHD and kinetic theory also dictate that all plasma normal modes exhibit a unique signature in terms of their polarization. We quantify the relative amplitude of fluctuations in the three lowest particle velocity moments associated with IA and NP modes in the gyrokinetic limit and compare these predictions with MHD results and in situ observations of the solar-wind turbulence. The agreement between the observations of the wave polarization and our MHD predictions is better than the kinetic predictions, which suggests that the plasma behaves more like a fluid in the solar wind than expected.

Citation Classics from Industrial Marketing Management

DEFF Research Database (Denmark)

Lindgreen, Adam; Di Benedetto, C. Anthony

2017-01-01

, system sellers and systems integrator, third-party logistics providers, and value). Finally, each of the 30 citation classics is introduced, and the classics' theoretical implications to business-to-business marketing management and fields related to (e.g., supply chain management, strategic management......This article proposes a categorization of what constitutes a citation classic. General observations reveal, with regard to the top 30 citation classics from Industrial Marketing Management, the number of authors per article, country of origin of the lead author, and type of article (literature...... review, qualitative methodology, or quantitative methodology). In addition, these citation classics can be classified by topic (firm performance, goods-dominant and service-dominant logics, Internet and high-technology markets, product innovation, relationships and business networks, supply chains...

Elementary classical hydrodynamics

CERN Document Server

Chirgwin, B H; Langford, W J; Maxwell, E A; Plumpton, C

1967-01-01

Elementary Classical Hydrodynamics deals with the fundamental principles of elementary classical hydrodynamics, with emphasis on the mechanics of inviscid fluids. Topics covered by this book include direct use of the equations of hydrodynamics, potential flows, two-dimensional fluid motion, waves in liquids, and compressible flows. Some general theorems such as Bernoulli's equation are also considered. This book is comprised of six chapters and begins by introducing the reader to the fundamental principles of fluid hydrodynamics, with emphasis on ways of studying the motion of a fluid. Basic c

Classical limit for quantum mechanical energy eigenfunctions

International Nuclear Information System (INIS)

Sen, D.; Sengupta, S.

2004-01-01

The classical limit problem is discussed for the quantum mechanical energy eigenfunctions using the Wentzel-Kramers-Brillouin approximation, free from the problem at the classical turning points. A proper perspective of the whole issue is sought to appreciate the significance of the discussion. It is observed that for bound states in arbitrary potential, appropriate limiting condition is definable in terms of a dimensionless classical limit parameter leading smoothly to all observable classical results. Most important results are the emergence of classical phase space, keeping the observable distribution functions non-zero only within the so-called classical region at the limit point and resolution of some well-known paradoxes. (author)

On the connections between the classical and quantum-mechanical Kepler problems

International Nuclear Information System (INIS)

Dahl, J.P.; Jorgensen, T.G.

1993-01-01

The Runge-Lenz vector, which accounts for the accidental degeneracy of the non-relativistic Kepler problem, has been the subject matter of many studies, both in quantum mechanics and in classical mechanics. Much less attention has been paid to the Johnson-Lippmann operator which accounts for the accidental degeneracy of the relativistic Kepler problem in Dirac's quantum-mechanical description. In the present communication we discuss the properties of the Johnson-Lippmann operator. We show its relation to the non-relativistic Runge-Lenz vector and draw a connection to Sommerfield's early discussion of the relativistic Kepler problem. This enables us, inter alia, to give an explanation of the apparent coincidence of the energy expressions of the two theories

Mapping the kinetic barriers of a Large RNA molecule's folding landscape.

Directory of Open Access Journals (Sweden)

Jörg C Schlatterer

Full Text Available The folding of linear polymers into discrete three-dimensional structures is often required for biological function. The formation of long-lived intermediates is a hallmark of the folding of large RNA molecules due to the ruggedness of their energy landscapes. The precise thermodynamic nature of the barriers (whether enthalpic or entropic that leads to intermediate formation is still poorly characterized in large structured RNA molecules. A classic approach to analyzing kinetic barriers are temperature dependent studies analyzed with Eyring's transition state theory. We applied Eyring's theory to time-resolved hydroxyl radical (•OH footprinting kinetics progress curves collected at eight temperature from 21.5 °C to 51 °C to characterize the thermodynamic nature of folding intermediate formation for the Mg(2+-mediated folding of the Tetrahymena thermophila group I ribozyme. A common kinetic model configuration describes this RNA folding reaction over the entire temperature range studied consisting of primary (fast transitions to misfolded intermediates followed by much slower secondary transitions, consistent with previous studies. Eyring analysis reveals that the primary transitions are moderate in magnitude and primarily enthalpic in nature. In contrast, the secondary transitions are daunting in magnitude and entropic in nature. The entropic character of the secondary transitions is consistent with structural rearrangement of the intermediate species to the final folded form. This segregation of kinetic control reveals distinctly different molecular mechanisms during the two stages of RNA folding and documents the importance of entropic barriers to defining rugged RNA folding landscapes.

Development of reduced kinetic schemes for the description of pollutants formation in combustion; Mise au point de schemas cinetiques reduits pour decrire la formation des polluants dans la combustion

Energy Technology Data Exchange (ETDEWEB)

Ferrendier, M.

1998-12-17

The typical dimensions of details chemical-kinetic mechanisms proposed to describe combustion systems are too large for multi-dimensional computations applications. The objective of reduction methods is to construct low-dimensional schemes that can be incorporated in industrial codes. We consider here a new class of methods based on a mathematical analysis of the detailed chemical-kinetic mechanisms, and the identification of a low-dimensional manifold that describes the slow dynamics of the chemical system. The mathematical reduction methods considered in this work are the Intrinsic Low Dimensional Manifold (ILDM) method proposed by Maas and Pope (1992), and the Singular Perturbation (PS) method proposed by Duchene and Rouchon (1996). The domain of validity of the ILDM or PS reduced schemes is limited to a high temperature domain T {>=} T{sub c}. This result suggests that ignition is out of the domain of application of reduced mechanisms. In the case of a CO/H{sub 2}/N{sub 2}-air combustion system, and using a two-dimensional slow manifold, we find T{sub c} {approx} 750 K. We also find that for that particular system, 2 progress variables are sufficient for an accurate description of the structure and the velocity of a laminar premixed flame. In the case of a CH{sub 4}-air combustion system, and using a two-dimensional slow manifold, we find T{sub c}{approx}1500 K. We also find that 2 progress variables are insufficient for an accurate description of the structure and the velocity of a laminar premixed flame. The study of the different NO formation mechanisms show that the thermal NO mechanism (the Zeldovich mechanism) is dominant for premixed configurations with lean or stoichiometric conditions ({phi}){>=}1.2), and for non-premixed configurations at high temperatures and high pressures (T{sub air}{>=}1000 K, P {>=} 10 bars). Under these conditions, the MPKIVA sub model used to describe NO formation in the IFP version of the KIVA code performs reasonably well. An

Toward a Multi-scale Phase Transition Kinetics Methodology: From Non-Equilibrium Statistical Mechanics to Hydrodynamics

Science.gov (United States)

Belof, Jonathan; Orlikowski, Daniel; Wu, Christine; McLaughlin, Keith

2013-06-01

Shock and ramp compression experiments are allowing us to probe condensed matter under extreme conditions where phase transitions and other non-equilibrium aspects can now be directly observed, but first principles simulation of kinetics remains a challenge. A multi-scale approach is presented here, with non-equilibrium statistical mechanical quantities calculated by molecular dynamics (MD) and then leveraged to inform a classical nucleation and growth kinetics model at the hydrodynamic scale. Of central interest is the free energy barrier for the formation of a critical nucleus, with direct NEMD presenting the challenge of relatively long timescales necessary to resolve nucleation. Rather than attempt to resolve the time-dependent nucleation sequence directly, the methodology derived here is built upon the non-equilibrium work theorem in order to bias the formation of a critical nucleus and thus construct the nucleation and growth rates. Having determined these kinetic terms from MD, a hydrodynamics implementation of Kolmogorov-Johnson-Mehl-Avrami (KJMA) kinetics and metastabilty is applied to the dynamic compressive freezing of water and compared with recent ramp compression experiments [Dolan et al., Nature (2007)] Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344.

H-classic: a new method to identify classic articles in Implant Dentistry, Periodontics, and Oral Surgery.

Science.gov (United States)

De la Flor-Martínez, Maria; Galindo-Moreno, Pablo; Sánchez-Fernández, Elena; Piattelli, Adriano; Cobo, Manuel Jesus; Herrera-Viedma, Enrique

2016-10-01

The study of classic papers permits analysis of the past, present, and future of a specific area of knowledge. This type of analysis is becoming more frequent and more sophisticated. Our objective was to use the H-classics method, based on the h-index, to analyze classic papers in Implant Dentistry, Periodontics, and Oral Surgery (ID, P, and OS). First, an electronic search of documents related to ID, P, and OS was conducted in journals indexed in Journal Citation Reports (JCR) 2014 within the category 'Dentistry, Oral Surgery & Medicine'. Second, Web of Knowledge databases were searched using Mesh terms related to ID, P, and OS. Finally, the H-classics method was applied to select the classic articles in these disciplines, collecting data on associated research areas, document type, country, institutions, and authors. Of 267,611 documents related to ID, P, and OS retrieved from JCR journals (2014), 248 were selected as H-classics. They were published in 35 journals between 1953 and 2009, most frequently in the Journal of Clinical Periodontology (18.95%), the Journal of Periodontology (18.54%), International Journal of Oral and Maxillofacial Implants (9.27%), and Clinical Oral Implant Research (6.04%). These classic articles derived from the USA in 49.59% of cases and from Europe in 47.58%, while the most frequent host institution was the University of Gothenburg (17.74%) and the most frequent authors were J. Lindhe (10.48%) and S. Socransky (8.06%). The H-classics approach offers an objective method to identify core knowledge in clinical disciplines such as ID, P, and OS. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Seven steps towards the classical world

International Nuclear Information System (INIS)

Allori, Valia; Duerr, Detlef; Goldstein, Shelly; Zanghi, Nino

2002-01-01

Classical physics is about real objects, like apples falling from trees, whose motion is governed by Newtonian laws. In standard quantum mechanics only the wavefunctions or the results of measurements exist, and to answer the question of how the classical world can be part of the quantum world is a rather formidable task. However, this is not the case for Bohmian mechanics which, like classical mechanics, is a theory about real objects. In Bohmian terms, the problem of the classical limit becomes very simple: when do the Bohmian trajectories look Newtonian?

Ambiguities in the description of nucleon transfer in deep inelastic scattering

International Nuclear Information System (INIS)

Dworzecka, M.; Zielinska-Pfabe, M.; Griffin, J.J.

1986-01-01

Here the authors discuss certain ambiguities which are in the description of (N,Z) evolution in heavy ion collisions by means of nucleon exchange models. Such descriptions have been formulated either in terms of Markovian Master (MM) equations (or its approximate version in the form of Fokker-Planck equation) in terms of transition rates per unit time, or in terms of Random Walk (RW) on the energy surface in terms of transition probabilities per nucleon exchanged. In a series of papers they have shown that the RW is the useful tool in studying probability distributions of particle numbers (protons and neutrons) as a function of energy loss. The authors purpose was to compare the implications of different (often competing) physical mechanisms for specific features of the (N-Z) distribution. One result of that analysis was that not all of the kinetic energy loss could be attributed to the nucleon transfer process assumed; rather, an additional step had to be allowed in the random walk in which no nucleon is transferred, but kinetic energy is lost nonetheless. Only then could the total width, σ/sub A/ 2 , of the (N-Z) distribution (as a function of energy loss) be made to conform with the experimental data. Conversely requiring this conformance yielded a specific value of the average relative probability for this additional non-transfer step

Flywheels for Low-Speed Kinetic Energy Storage Systems

International Nuclear Information System (INIS)

Portnov, G.; Cruz, I.; Arias, F.; Fiffe, R. P.

2003-01-01

A brief overview of different steel disc-type flywheels is presented. It contents the analysis of relationship between stress-state and kinetic energy of rotating body, comparison of the main characteristics of flywheels and description of their optimization procedures. It is shown that pro files of the discs calculated on a basis of plane stress-state assumption may be considered only as a starting point for its further improvement using 3-D approach. The aim of the review is to provide a designer for a insight into problem of shaping of steel flywheels. (Author) 19 refs

The validation of neutron kinetic calculations of CEGB reactors

International Nuclear Information System (INIS)

Emmett, J.C.A.; Hutt, P.K.; Nunn, D.L.; Waterson, R.H.

1982-01-01

Reactor kinetic calculations are required by the CEGB to predict space and time varying neutron fluxes through the course of various hypothesized core transients. These transients arise through flow or reactivity perturbations occurring in a part of the core. A description is given of the results of dual programmes of work undertaken at BNL to validate such calculations. Firstly, analyses have been carried out to establish how data for these calculations should best be derived. Secondly, experimental measurements have been compared against the predictions of such calculations with data derived in the recommended way. (author)

Kinetic theory of the interdiffusion coefficient in dense plasmas

International Nuclear Information System (INIS)

Boercker, D.B.

1986-08-01

Naive applications of Spitzer's theory to very dense plasmas can lead to negative diffusion coefficients. The interdiffusion coefficients in Binary Ionic Mixtures (two species of point ions in a uniform neutralizing background) have been calculated recently using molecular dynamics techniques. These calculations can provide useful benchmarks for theoretical evaluations of the diffusion coefficient in dense plasma mixtures. This paper gives a brief description of a kinetic theoretic approximation to the diffusion coefficient which generalizes Spitzer to high density and is in excellent agreement with the computer simulations. 15 refs., 1 fig., 2 tabs

Equilibrium amide hydrogen exchange and protein folding kinetics

International Nuclear Information System (INIS)

Bai Yawen

1999-01-01

The classical Linderstrom-Lang hydrogen exchange (HX) model is extended to describe the relationship between the HX behaviors (EX1 and EX2) and protein folding kinetics for the amide protons that can only exchange by global unfolding in a three-state system including native (N), intermediate (I), and unfolded (U) states. For these slowly exchanging amide protons, it is shown that the existence of an intermediate (I) has no effect on the HX behavior in an off-pathway three-state system (I↔U↔N). On the other hand, in an on-pathway three-state system (U↔I↔N), the existence of a stable folding intermediate has profound effect on the HX behavior. It is shown that fast refolding from the unfolded state to the stable intermediate state alone does not guarantee EX2 behavior. The rate of refolding from the intermediate state to the native state also plays a crucial role in determining whether EX1 or EX2 behavior should occur. This is mainly due to the fact that only amide protons in the native state are observed in the hydrogen exchange experiment. These new concepts suggest that caution needs to be taken if one tries to derive the kinetic events of protein folding from equilibrium hydrogen exchange experiments

Diminuendo: Classical Music and the Academy

Science.gov (United States)

Asia, Daniel

2010-01-01

How is the tradition of Western classical music faring on university campuses? Before answering this question, it is necessary to understand what has transpired with classical music in the wider culture, as the relationship between the two is so strong. In this article, the author discusses how classical music has taken a big cultural hit in…

Recrystallization kinetics of warm-rolled tungsten in the temperature range 1150-1350 °C

DEFF Research Database (Denmark)

Alfonso Lopez, Angel; Juul Jensen, Dorte; Luo, G.-N.

2014-01-01

Pure tungsten is a potential candidate material for the plasma-facing first wall and the divertor of fusion reactors. Both parts have to withstand high temperatures during service. This will alter the microstructure of the material by recovery, recrystallization and grain growth and will cause...... in the mechanical properties during annealing are quantified by Vickers hardness measurements. They are described concisely by classical kinetic models for recovery and recrystallization. The observed time spans for recrystallization and the obtained value for the activation energy of the recrystallization process...

The Gaussian radial basis function method for plasma kinetic theory

Energy Technology Data Exchange (ETDEWEB)

Hirvijoki, E., E-mail: eero.hirvijoki@chalmers.se [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Candy, J.; Belli, E. [General Atomics, PO Box 85608, San Diego, CA 92186-5608 (United States); Embréus, O. [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden)

2015-10-30

Description of a magnetized plasma involves the Vlasov equation supplemented with the non-linear Fokker–Planck collision operator. For non-Maxwellian distributions, the collision operator, however, is difficult to compute. In this Letter, we introduce Gaussian Radial Basis Functions (RBFs) to discretize the velocity space of the entire kinetic system, and give the corresponding analytical expressions for the Vlasov and collision operator. Outlining the general theory, we also highlight the connection to plasma fluid theories, and give 2D and 3D numerical solutions of the non-linear Fokker–Planck equation. Applications are anticipated in both astrophysical and laboratory plasmas. - Highlights: • A radically new method to address the velocity space discretization of the non-linear kinetic equation of plasmas. • Elegant and physically intuitive, flexible and mesh-free. • Demonstration of numerical solution of both 2-D and 3-D non-linear Fokker–Planck relaxation problem.

Bainite formation kinetics in high carbon alloyed steel

International Nuclear Information System (INIS)

Luzginova, N.V.; Zhao, L.; Sietsma, J.

2008-01-01

In recent years, many investigations have been carried out on the modeling of the bainite formation. In the present work, a physical approach proposed in the literature is implemented to model the formation of lower bainite in high carbon steels (1 wt.% C). In this model, the carbon diffusion is assumed to control the kinetics of the bainite formation. Both the nucleation and the growth rates are considered in an Avrami type analysis. The effect of alloying elements is taken into account considering only the thermodynamics of the system. The results and the physical meaning of the model parameters are discussed. It is shown that the diffusional approach gives a reasonable description of bainite formation kinetics in high carbon steel. Only two fitting parameters are used: the first accounts for carbon grain-boundary diffusion and the second is the initial nucleation-site density. The model satisfactorily accounts for the effect of transformation temperature, but does not take into account the carbide precipitation during bainite formation and the effect of alloying elements on the diffusion coefficient of carbon

A Three-Dimensional Kinematic and Kinetic Study of the College-Level Female Softball Swing

Science.gov (United States)

Milanovich, Monica; Nesbit, Steven M.

2014-01-01

This paper quantifies and discusses the three-dimensional kinematic and kinetic characteristics of the female softball swing as performed by fourteen female collegiate amateur subjects. The analyses were performed using a three-dimensional computer model. The model was driven kinematically from subject swings data that were recorded with a multi-camera motion analysis system. Each subject used two distinct bats with significantly different inertial properties. Model output included bat trajectories, subject/bat interaction forces and torques, work, and power. These data formed the basis for a detailed analysis and description of fundamental swing kinematic and kinetic quantities. The analyses revealed that the softball swing is a highly coordinated and individual three-dimensional motion and subject-to-subject variations were significant in all kinematic and kinetic quantities. In addition, the potential effects of bat properties on swing mechanics are discussed. The paths of the hands and the centre-of-curvature of the bat relative to the horizontal plane appear to be important trajectory characteristics of the swing. Descriptions of the swing mechanics and practical implications are offered based upon these findings. Key Points The female softball swing is a highly coordinated and individual three-dimensional motion and subject-to-subject variations were significant in all kinematic and kinetic quantities. The paths of the grip point, bat centre-of-curvature, CG, and COP are complex yet reveal consistent patterns among subjects indicating that these patterns are fundamental components of the swing. The most important mechanical quantity relative to generating bat speed is the total work applied to the bat from the batter. Computer modeling of the softball swing is a viable means for study of the fundamental mechanics of the swing motion, the interactions between the batter and the bat, and the energy transfers between the two. PMID:24570623

Fractal kinetics of radiation-induced point-defect formation and decay in amorphous insulators: Application to color centers in silica-based optical fibers

Science.gov (United States)

Griscom, David L.

2001-11-01

Formalisms have been developed to express the time evolution of bimolecular processes taking place in fractal spaces. These ``stretched-second-order'' solutions are specifically applicable to radiation-induced electron-hole pairs and/or vacancy-interstitial pairs in insulating glasses. Like the analogous Kohlrausch-type (stretched-first-order) expressions, the present solutions are functions of (kt)β, where 0the new second-order formalism and the familiar Kohlrausch approach have been used to fit experimental data (induced optical absorptions in silica-based glasses monitored at selected wavelengths) that serve as proxies for the numbers of color centers created by γ irradiation and/or destroyed by processes involving thermal, optical, or γ-ray activation. Two material systems were investigated: (1) optical fibers with Ge-doped-silica cores and (2) fibers with low-OH/low-chloride pure-silica cores. Successful fits of the growth curves for the Ge-doped-silica-core fibers at four widely separated dose rates were accomplished using solutions for color-center concentrations, N[(kt)β], which approach steady-state values, Nsat, as t-->∞. The parametrization of these fits reveals some unexpected, and potentially useful, empirical rules regarding the dose-rate dependences of β, k, and Nsat in the fractal regime (0the pure-silica-core fibers as well. In both material systems, there appear to be fractal classical phase transitions at certain threshold values of dose rate, below which the dose-rate dependencies of k and Nsat revert to those specified by classical (β=1) first- or second-order kinetics. For ktthe first- and second-order fractal kinetic growth curves become identical, i.e., N((kt)β)~Atβ, where the coefficient A depends on dose rate but not kinetic order. It is found empirically that A depends on the 3β/2 power of dose rate in both first- and second-order kinetics, thus ``accidentally'' becoming linearly proportional to dose rate in cases where β~2

'Leonard pairs' in classical mechanics

International Nuclear Information System (INIS)

Zhedanov, Alexei; Korovnichenko, Alyona

2002-01-01

Leonard pairs (LP) are matrices with the property of mutual tri-diagonality. We introduce and study a classical analogue of LP. We show that corresponding classical 'Leonard' dynamical variables satisfy non-linear relations of the AW-type with respect to Poisson brackets. (author)

Cesium removal and kinetics equilibrium: Precipitation kinetics

International Nuclear Information System (INIS)

Barnes, M.J.

1999-01-01

This task consisted of both non-radioactive and radioactive (tracer) tests examining the influence of potentially significant variables on cesium tetraphenylborate precipitation kinetics. The work investigated the time required to reach cesium decontamination and the conditions that affect the cesium precipitation kinetics

Classical Limit and Quantum Logic

Science.gov (United States)

Losada, Marcelo; Fortin, Sebastian; Holik, Federico

2018-02-01

The analysis of the classical limit of quantum mechanics usually focuses on the state of the system. The general idea is to explain the disappearance of the interference terms of quantum states appealing to the decoherence process induced by the environment. However, in these approaches it is not explained how the structure of quantum properties becomes classical. In this paper, we consider the classical limit from a different perspective. We consider the set of properties of a quantum system and we study the quantum-to-classical transition of its logical structure. The aim is to open the door to a new study based on dynamical logics, that is, logics that change over time. In particular, we appeal to the notion of hybrid logics to describe semiclassical systems. Moreover, we consider systems with many characteristic decoherence times, whose sublattices of properties become distributive at different times.

Thermodynamics of accuracy in kinetic proofreading: dissipation and efficiency trade-offs