Non-equilibrium supramolecular polymerization.

Science.gov (United States)

Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M

2017-09-18

Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.

On non-equilibrium states in QFT model with boundary interaction

International Nuclear Information System (INIS)

Bazhanov, Vladimir V.; Lukyanov, Sergei L.; Zamolodchikov, Alexander B.

1999-01-01

We prove that certain non-equilibrium expectation values in the boundary sine-Gordon model coincide with associated equilibrium-state expectation values in the systems which differ from the boundary sine-Gordon in that certain extra boundary degrees of freedom (q-oscillators) are added. Applications of this result to actual calculation of non-equilibrium characteristics of the boundary sine-Gordon model are also discussed

NON-EQUILIBRIUM CHEMISTRY OF DYNAMICALLY EVOLVING PRESTELLAR CORES. II. IONIZATION AND MAGNETIC FIELD

International Nuclear Information System (INIS)

Tassis, Konstantinos; Willacy, Karen; Yorke, Harold W.; Turner, Neal J.

2012-01-01

We study the effect that non-equilibrium chemistry in dynamical models of collapsing molecular cloud cores has on measurements of the magnetic field in these cores, the degree of ionization, and the mean molecular weight of ions. We find that OH and CN, usually used in Zeeman observations of the line-of-sight magnetic field, have an abundance that decreases toward the center of the core much faster than the density increases. As a result, Zeeman observations tend to sample the outer layers of the core and consistently underestimate the core magnetic field. The degree of ionization follows a complicated dependence on the number density at central densities up to 10 5 cm –3 for magnetic models and 10 6 cm –3 in non-magnetic models. At higher central densities, the scaling approaches a power law with a slope of –0.6 and a normalization which depends on the cosmic-ray ionization rate ζ and the temperature T as (ζT) 1/2 . The mean molecular weight of ions is systematically lower than the usually assumed value of 20-30, and, at high densities, approaches a value of 3 due to the asymptotic dominance of the H + 3 ion. This significantly lower value implies that ambipolar diffusion operates faster.

Nakedly singular non-vacuum gravitating equilibrium states

Science.gov (United States)

Woszczyna, Andrzej; Kutschera, Marek; Kubis, Sebastian; Czaja, Wojciech; Plaszczyk, Piotr; Golda, Zdzisław A.

2016-01-01

Non-vacuum static spherically symmetric spacetimes with central point-like repulsive gravity sources are investigated. Both the symmetries of spacetime and the degree of irregularity of curvature invariants, are the same as for the Schwarzschild case. The equilibrium configurations are modelled using the neutron star polytrope equation of state.

Experimental approaches for studying non-equilibrium atmospheric plasma jets

Energy Technology Data Exchange (ETDEWEB)

Shashurin, A., E-mail: ashashur@purdue.edu [School of Aeronautics & Astronautics, Purdue University, West Lafayette, Indiana 47907 (United States); Keidar, M. [Department of Mechanical and Aerospace Engineering, The George Washington University, Washington, District of Columbia 20052 (United States)

2015-12-15

This work reviews recent research efforts undertaken in the area non-equilibrium atmospheric plasma jets with special focus on experimental approaches. Physics of small non-equilibrium atmospheric plasma jets operating in kHz frequency range at powers around few Watts will be analyzed, including mechanism of breakdown, process of ionization front propagation, electrical coupling of the ionization front with the discharge electrodes, distributions of excited and ionized species, discharge current spreading, transient dynamics of various plasma parameters, etc. Experimental diagnostic approaches utilized in the field will be considered, including Rayleigh microwave scattering, Thomson laser scattering, electrostatic streamer scatterers, optical emission spectroscopy, fast photographing, etc.

The Evolution of the Large-Scale ISM: Bubbles, Superbubbles and Non-Equilibrium Ionization

Science.gov (United States)

de Avillez, M. A.; Breitschwerdt, D.

2010-12-01

The ISM, powered by SNe, is turbulent and permeated by a magnetic field (with a mean and a turbulent component). It constitutes a frothy medium that is mostly out of equilibrium and is ram pressure dominated on most of the temperature ranges, except for T 106K, where magnetic and thermal pressures dominate, respectively. Such lack of equilibrium is also imposed by the feedback of the radiative processes into the ISM flow. Many models of the ISM or isolated phenomena, such as bubbles, superbubbles, clouds evolution, etc., take for granted that the flow is in the so-called collisional ionization equilibrium (CIE). However, recombination time scales of most of the ions below 106 K are longer than the cooling time scale. This implies that the recombination lags behind and the plasma is overionized while it cools. As a consequence cooling deviates from CIE. This has severe implications on the evolution of the ISM flow and its ionization structure. Here, besides reviewing several models of the ISM, including bubbles and superbubbles, the validity of the CIE approximation is discussed, and a presentation of recent developments in modeling the ISM by taking into account the time-dependent ionization structure of the flow in a full-blown numerical 3D high resolution simulation is presented.

Non-equilibrium hydrogen ionization in 2D simulations of the solar atmosphere

NARCIS (Netherlands)

Leenaarts, J.|info:eu-repo/dai/nl/304837946; Carlsson, M.; Hansteen, V.; Rutten, R.J.|info:eu-repo/dai/nl/074143662

2007-01-01

Context: The ionization of hydrogen in the solar chromosphere and transition region does not obey LTE or instantaneous statistical equilibrium because the timescale is long compared with important hydrodynamical timescales, especially of magneto-acoustic shocks. Since the pressure, temperature, and

The Influence of Non-Equilibrium Excitation on the Electron Density in One-Dimensional MFD Channel Flow

Energy Technology Data Exchange (ETDEWEB)

Eichert, K.; Kaeppeler, H. J. [Institut fuer Plasmaforschung der Technischen Hochschule Stuttgart, Federal Republic of Germany (Germany)

1966-10-15

In previous publications, a system of equations was derived from the gas-kinetic description of a multi-component reacting plasma and employed for the calculation of one-dimensional subsonic flows. This system is now extended to include non-equilibrium excitation. No thermal or chemical equilibrium between the various components of the plasma is assumed. The components of the plasma considered are a non-reacting working fluid, an alkali metal vapour as a seeding material, ions of this seeding substance, and electrons. Three levels for the excited states are introduced. The reactions considered are excitation and ionization by electron collisions, and photo-ionization, as well as the corresponding reverse processes. For the reaction velocities, analytical equations are introduced permitting insertion of any excitation or ionization cross-sections of either experimental or theoretical origin. The method employed had been previously suggested by one of the authors. As examples, the degrees of excitation and ionization in the flow of a helium working fluid with 1% caesium seeding through a channel against transverse magnetic fields of 15 and 40 kg at Mach numbers of 0.7 and 0.8, respectively, were calculated. The results of the calculations show that for relatively small magnetic fields there is no rapid rise of the ionization to Saha-equilibrium as a function of electron temperature. A comparison with the results of a calculation neglecting excitation shows that especially for relatively large magnetic fields non-equilibrium excitation has an essential influence on the electron density and its approach to equilibrium. Neglecting excitation, there results a nearly frozen behaviour of the degree of ionization within channel lengths of technical interest for small magnetic fields. (author)

Stochastic pumping of non-equilibrium steady-states: how molecules adapt to a fluctuating environment.

Science.gov (United States)

Astumian, R D

2018-01-11

In the absence of input energy, a chemical reaction in a closed system ineluctably relaxes toward an equilibrium state governed by a Boltzmann distribution. The addition of a catalyst to the system provides a way for more rapid equilibration toward this distribution, but the catalyst can never, in and of itself, drive the system away from equilibrium. In the presence of external fluctuations, however, a macromolecular catalyst (e.g., an enzyme) can absorb energy and drive the formation of a steady state between reactant and product that is not determined solely by their relative energies. Due to the ubiquity of non-equilibrium steady states in living systems, the development of a theory for the effects of external fluctuations on chemical systems has been a longstanding focus of non-equilibrium thermodynamics. The theory of stochastic pumping has provided insight into how a non-equilibrium steady-state can be formed and maintained in the presence of dissipation and kinetic asymmetry. This effort has been greatly enhanced by a confluence of experimental and theoretical work on synthetic molecular machines designed explicitly to harness external energy to drive non-equilibrium transport and self-assembly.

Comparing two non-equilibrium approaches to modelling of a free-burning arc

International Nuclear Information System (INIS)

Baeva, M; Uhrlandt, D; Benilov, M S; Cunha, M D

2013-01-01

Two models of high-pressure arc discharges are compared with each other and with experimental data for an atmospheric-pressure free-burning arc in argon for arc currents of 20–200 A. The models account for space-charge effects and thermal and ionization non-equilibrium in somewhat different ways. One model considers space-charge effects, thermal and ionization non-equilibrium in the near-cathode region and thermal non-equilibrium in the bulk plasma. The other model considers thermal and ionization non-equilibrium in the entire arc plasma and space-charge effects in the near-cathode region. Both models are capable of predicting the arc voltage in fair agreement with experimental data. Differences are observed in the arc attachment to the cathode, which do not strongly affect the near-cathode voltage drop and the total arc voltage for arc currents exceeding 75 A. For lower arc currents the difference is significant but the arc column structure is quite similar and the predicted bulk plasma characteristics are relatively close to each other. (paper)

Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model

Directory of Open Access Journals (Sweden)

Akira Takada

2018-03-01

Full Text Available A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.

Hydrogenic ionization model for mixtures in non-LTE plasmas

International Nuclear Information System (INIS)

Djaoui, A.

1999-01-01

The Hydrogenic Ionization Model for Mixtures (HIMM) is a non-Local Thermodynamic Equilibrium (non-LTE), time-dependent ionization model for laser-produced plasmas containing mixtures of elements (species). In this version, both collisional and radiative rates are taken into account. An ionization distribution for each species which is consistent with the ambient electron density is obtained by use of an iterative procedure in a single calculation for all species. Energy levels for each shell having a given principal quantum number and for each ion stage of each species in the mixture are calculated using screening constants. Steady-state non-LTE as well as LTE solutions are also provided. The non-LTE rate equations converge to the LTE solution at sufficiently high densities or as the radiation temperature approaches the electron temperature. The model is particularly useful at low temperatures where convergence problems are usually encountered in our previous models. We apply our model to typical situation in x-ray laser research, laser-produced plasmas and inertial confinement fusion. Our results compare well with previously published results for a selenium plasma. (author)

Lower bounds for ballistic current and noise in non-equilibrium quantum steady states

Directory of Open Access Journals (Sweden)

Benjamin Doyon

2015-03-01

Full Text Available Let an infinite, homogeneous, many-body quantum system be unitarily evolved for a long time from a state where two halves are independently thermalized. One says that a non-equilibrium steady state emerges if there are nonzero steady currents in the central region. In particular, their presence is a signature of ballistic transport. We analyze the consequences of the current observable being a conserved density; near equilibrium this is known to give rise to linear wave propagation and a nonzero Drude peak. Using the Lieb–Robinson bound, we derive, under a certain regularity condition, a lower bound for the non-equilibrium steady-state current determined by equilibrium averages. This shows and quantifies the presence of ballistic transport far from equilibrium. The inequality suggests the definition of “nonlinear sound velocities”, which specialize to the sound velocity near equilibrium in non-integrable models, and “generalized sound velocities”, which encode generalized Gibbs thermalization in integrable models. These are bounded by the Lieb–Robinson velocity. The inequality also gives rise to a bound on the energy current noise in the case of pure energy transport. We show that the inequality is satisfied in many models where exact results are available, and that it is saturated at one-dimensional criticality.

Composition and partition functions of partially ionized hydrogen plasma in Non-Local Thermal Equilibrium (Non-LThE) and Non-Local Chemical Equilibrium (Non-LChE)

International Nuclear Information System (INIS)

Chen Kuan; Eddy, T.L.

1993-01-01

A GTME (Generalized MultiThermodynamic Equilibrium) plasma model is developed for plasmas in both Non-LThE (Non-Local Thermal Equilibrium) and Non-LChE (Non-Local Chemical Equilibrium). The model uses multitemperatures for thermal nonequilibrium and non-zero chemical affinities as a measure of the deviation from chemical equilibrium. The plasma is treated as an ideal gas with the Debye-Hueckel approximation employed for pressure correction. The proration method is used when the cutoff energy level is between two discrete levels. The composition and internal partition functions of a hydrogen plasma are presented for electron temperatures ranging from 5000 to 35000 K and pressures from 0.1 to 1000 kPa. Number densities of 7 different species of hydrogen plasma and internal partition functions of different energy modes (rotational, vibrational, and electronic excitation) are computed for three affinity values. The results differ from other plasma properties in that they 1) are not based on equilibrium properties; and 2) are expressed as a function of different energy distribution parameters (temperatures) within each energy mode of each species as appropriate. The computed number densities and partition functions are applicable to calculating the thermodynamic, transport, and radiation properties of a hydrogen plasma not in thermal and chemical equilibria. The nonequilibrium plasma model and plasma compositions presented in this paper are very useful to the diagnosis of high-speed and/or low-pressure plasma flows in which the assumptions of local thermal and chemical equilibrium are invalid. (orig.)

Updated Collisional Ionization Equilibrium Calculated for Optically Thin Plasmas

Science.gov (United States)

Savin, Daniel Wolf; Bryans, P.; Badnell, N. R.; Gorczyca, T. W.; Laming, J. M.; Mitthumsiri, W.

2010-03-01

Reliably interpreting spectra from electron-ionized cosmic plasmas requires accurate ionization balance calculations for the plasma in question. However, much of the atomic data needed for these calculations have not been generated using modern theoretical methods and their reliability are often highly suspect. We have carried out state-of-the-art calculations of dielectronic recombination (DR) rate coefficients for the hydrogenic through Na-like ions of all elements from He to Zn as well as for Al-like to Ar-like ions of Fe. We have also carried out state-of-the-art radiative recombination (RR) rate coefficient calculations for the bare through Na-like ions of all elements from H to Zn. Using our data and the recommended electron impact ionization data of Dere (2007), we present improved collisional ionization equilibrium calculations (Bryans et al. 2006, 2009). We compare our calculated fractional ionic abundances using these data with those presented by Mazzotta et al. (1998) for all elements from H to Ni. This work is supported in part by the NASA APRA and SHP SR&T programs.

Model of opacity and emissivity of non-equilibrium plasma

International Nuclear Information System (INIS)

Politov V Y

2008-01-01

In this work the model describing absorption and emission properties of the non-equilibrium plasma is presented. It is based on the kinetics equations for populations of the ground, singly and doubly excited states of multi-charged ions. After solving these equations, the states populations together with the spectroscopic data, supplied in the special database for a lot ionization stages, are used for building the spectral distributions of plasma opacity and emissivity in STA approximation. Results of kinetics simulation are performed for such important X-ray converter as gold, which is investigated intensively in ICF-experiments

Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach

International Nuclear Information System (INIS)

Kustova, Elena V.; Kremer, Gilberto M.

2014-01-01

Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N 2 flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure

Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach

Energy Technology Data Exchange (ETDEWEB)

Kustova, Elena V., E-mail: e.kustova@spbu.ru [Department of Mathematics and Mechanics, Saint Petersburg State University, 198504 Universitetskiy pr. 28, Saint Petersburg (Russian Federation); Kremer, Gilberto M., E-mail: kremer@fisica.ufpr.br [Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba (Brazil)

2014-12-05

Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N{sub 2} flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure.

Equilibrium and non-equilibrium charge-state distributions of 2.0 MeV/u carbon ions passing through carbon foils

International Nuclear Information System (INIS)

Imai, M.; Sataka, M.; Matsuda, M.; Okayasu, S.; Kawatsura, K.; Takahiro, K.; Komaki, K.; Shibata, H.; Nishio, K.

2015-01-01

Both equilibrium and non-equilibrium charge-state distributions were studied experimentally for 2.0 MeV/u carbon ions after passing through carbon foils. Measured charge-state distribution established the equilibrium at a target thickness of 10 μg/cm 2 and this remained unchanged until a maximum target thickness of 98 μg/cm 2 . The equilibrium charge-state distribution, the equilibrium mean charge-state, and the width and skewness of the equilibrium distribution were compared with predictions using existing semi-empirical formulae as well as simulation results, including the ETACHA code. It was found that charge-state distributions, mean charge states, and distribution widths for C 2+ , C 3+ , and C 4+ incident ions merged into quasi-equilibrium values at a target thickness of 5.7 μg/cm 2 in the pre-equilibrium region and evolved simultaneously to the ‘real equilibrium’ values for all of the initial charge states, including C 5+ and C 6+ ions, as previously demonstrated for sulfur projectile ions at the same velocity (Imai et al., 2009). Two kinds of simulation, ETACHA and solution of rate equations taking only single electron transfers into account, were used, and both of them reproduced the measured charge evolution qualitatively. The quasi-equilibrium behavior could be reproduced with the ETACHA code, but not with solution of elementary rate equations

Physical mechanism for biopolymers to aggregate and maintain in non-equilibrium states.

Science.gov (United States)

Ma, Wen-Jong; Hu, Chin-Kun

2017-06-08

Many human or animal diseases are related to aggregation of proteins. A viable biological organism should maintain in non-equilibrium states. How protein aggregate and why biological organisms can maintain in non-equilibrium states are not well understood. As a first step to understand such complex systems problems, we consider simple model systems containing polymer chains and solvent particles. The strength of the spring to connect two neighboring monomers in a polymer chain is controlled by a parameter s with s → ∞ for rigid-bond. The strengths of bending and torsion angle dependent interactions are controlled by a parameter s A with s A  → -∞ corresponding to no bending and torsion angle dependent interactions. We find that for very small s A , polymer chains tend to aggregate spontaneously and the trend is independent of the strength of spring. For strong springs, the speed distribution of monomers in the parallel (along the direction of the spring to connect two neighboring monomers) and perpendicular directions have different effective temperatures and such systems are in non-equilibrium states.

Temperature in non-equilibrium states: a review of open problems and current proposals

International Nuclear Information System (INIS)

Casas-Vazquez, J; Jou, D

2003-01-01

The conceptual problems arising in the definition and measurement of temperature in non-equilibrium states are discussed in this paper in situations where the local-equilibrium hypothesis is no longer satisfactory. This is a necessary and urgent discussion because of the increasing interest in thermodynamic theories beyond local equilibrium, in computer simulations, in non-linear statistical mechanics, in new experiments, and in technological applications of nanoscale systems and material sciences. First, we briefly review the concept of temperature from the perspectives of equilibrium thermodynamics and statistical mechanics. Afterwards, we explore which of the equilibrium concepts may be extrapolated beyond local equilibrium and which of them should be modified, then we review several attempts to define temperature in non-equilibrium situations from macroscopic and microscopic bases. A wide review of proposals is offered on effective non-equilibrium temperatures and their application to ideal and real gases, electromagnetic radiation, nuclear collisions, granular systems, glasses, sheared fluids, amorphous semiconductors and turbulent fluids. The consistency between the different relativistic transformation laws for temperature is discussed in the new light gained from this perspective. A wide bibliography is provided in order to foster further research in this field

Ionizing and non-ionizing radiations

International Nuclear Information System (INIS)

1994-01-01

The monograph is a small manual to get a knowledge of ionizing and non-ionizing radiations. The main chapters are: - Electromagnetic radiations - Ionizing and non-ionizing radiations - Non-ionizing electromagnetic radiations - Ionizing electromagnetic radiation - Other ionizing radiations - Ionizing radiation effects - The Nuclear Safety Conseil

Infinite-mode squeezed coherent states and non-equilibrium statistical mechanics (phase-space-picture approach)

International Nuclear Information System (INIS)

Yeh, L.

1992-01-01

The phase-space-picture approach to quantum non-equilibrium statistical mechanics via the characteristic function of infinite- mode squeezed coherent states is introduced. We use quantum Brownian motion as an example to show how this approach provides an interesting geometrical interpretation of quantum non-equilibrium phenomena

Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

International Nuclear Information System (INIS)

Ma, Wen; Yildiz, Bilge; Herbert, F. William; Senanayake, Sanjaya D.

2015-01-01

The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr 1+ , Zr 2+ , and Zr 3+ as non-equilibrium oxidation states, in addition to Zr 4+ in the stoichiometric ZrO 2 . This finding resolves the long-debated question of whether it is possible to form any valence states between Zr 0 and Zr 4+ at the metal-oxide interface. The presence of local strong electric fields and the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr

The effect of time-dependent coupling on non-equilibrium steady states

DEFF Research Database (Denmark)

Cornean, Horia; Neidhardt, Hagen; Zagrebnov, Valentin

Consider (for simplicity) two one-dimensional semi-infinite leads coupled to a quantum well via time dependent point interactions. In the remote past the system is decoupled, and each of its components is at thermal equilibrium. In the remote future the system is fully coupled. We define...... and compute the non equilibrium steady state (NESS) generated by this evolution. We show that when restricted to the subspace of absolute continuity of the fully coupled system, the state does not depend at all on the switching. Moreover, we show that the stationary charge current has the same invariant...

The effect of time-dependent coupling on non-equilibrium steady states

DEFF Research Database (Denmark)

Cornean, Horia; Neidhardt, Hagen; Zagrebnov, Valentin A.

2009-01-01

Consider (for simplicity) two one-dimensional semi-infinite leads coupled to a quantum well via time dependent point interactions. In the remote past the system is decoupled, and each of its components is at thermal equilibrium. In the remote future the system is fully coupled. We define...... and compute the non equilibrium steady state (NESS) generated by this evolution. We show that when restricted to the subspace of absolute continuity of the fully coupled system, the state does not depend at all on the switching. Moreover, we show that the stationary charge current has the same invariant...

Non-equilibrium phase transitions

CERN Document Server

Henkel, Malte; Lübeck, Sven

2009-01-01

This book describes two main classes of non-equilibrium phase-transitions: (a) static and dynamics of transitions into an absorbing state, and (b) dynamical scaling in far-from-equilibrium relaxation behaviour and ageing. The first volume begins with an introductory chapter which recalls the main concepts of phase-transitions, set for the convenience of the reader in an equilibrium context. The extension to non-equilibrium systems is made by using directed percolation as the main paradigm of absorbing phase transitions and in view of the richness of the known results an entire chapter is devoted to it, including a discussion of recent experimental results. Scaling theories and a large set of both numerical and analytical methods for the study of non-equilibrium phase transitions are thoroughly discussed. The techniques used for directed percolation are then extended to other universality classes and many important results on model parameters are provided for easy reference.

Small angle neutron scattering (SANS) under non-equilibrium conditions

International Nuclear Information System (INIS)

Oberthur, R.C.

1984-01-01

The use of small angle neutron scattering (SANS) for the study of systems under non-equilibrium conditions is illustrated by three types of experiments in the field of polymer research: - the relaxation of a system from an initial non-equilibrium state towards equilibrium, - the cyclic or repetitive installation of a series of non-equilibrium states in a system, - the steady non-equilibrium state maintained by a constant dissipation of energy within the system. Characteristic times obtained in these experiments with SANS are compared with the times obtained from quasi-elastic neutron and light scattering, which yield information about the equilibrium dynamics of the system. The limits of SANS applied to non-equilibrium systems for the measurement of relaxation times at different length scales are shown and compared to the limits of quasielastic neutron and light scattering

Development of a Thermo-chemical Non-equilibrium Solver for Hypervelocity Flows

Science.gov (United States)

Balasubramanian, R.; Anandhanarayanan, K.

2015-04-01

In the present study, a three dimensional flowsolver is indigenously developed to numerically simulate hypervelocity thermal and chemical non equilibrium reactive air flow past flight vehicles. The two-temperature, five species, seventeen reactions, thermo-chemical non equilibrium, non-ionizing, air-chemistry model of Park is implemented in a compressible viscous code CERANS and solved in the finite volume framework. The energy relaxation is addressed by a conservation equation for the vibrational energy of the gas mixture resulting in the evaluation of its vibrational temperature. The AUSM-PW+ numerical flux function has been used for modeling the convective fluxes and a central differencing approximation is used for modeling the diffusive fluxes. The flowsolver had been validated for specifically chosen test cases with inherent flow complexities of non-ionizing hypervelocity thermochemical nonequilibrium flows and results obtained are in good agreement with results available in open literature.

Nonideal plasmas as non-equilibrium media

International Nuclear Information System (INIS)

Morozov, I V; Norman, G E; Valuev, A A; Valuev, I A

2003-01-01

Various aspects of the collective behaviour of non-equilibrium nonideal plasmas are studied. The relaxation of kinetic energy to the equilibrium state is simulated by the molecular dynamics (MD) method for two-component non-degenerate strongly non-equilibrium plasmas. The initial non-exponential stage, its duration and the subsequent exponential stage of the relaxation process are studied for a wide range of ion charge, nonideality parameter and ion mass. A simulation model of the nonideal plasma excited by an electron beam is proposed. An approach is developed to calculate the dynamic structure factor in non-stationary conditions. Instability increment is obtained from MD simulations

Study in the plasma with non-equilibrium ionization state by relative intensities in K-spectra of multicharged ions

International Nuclear Information System (INIS)

Bojko, V.A.; Skobelev, I.Yu.; Faenov, A.Ya.

1984-01-01

The pressure of the K-spectra formation of multicharge h-, He-, Li-like ions in a plasma with an arbitrary ionization state are considered. It is shown that comparison of experimental and theoretical data on the intensities of f a number of spectral lines belonging to such ions allows one to determine both the plasma electron temperature and ion distribution versus the ionization degre ees. The proposed method of plasma diagnostics is used for measuring parameters of the expanding laser-produced magnesium plasme

Non-equilibrium spectroscopy of high-Tc superconductors

International Nuclear Information System (INIS)

Krasnov, V M

2009-01-01

In superconductors, recombination of two non-equilibrium quasiparticles into a Cooper pair results in emission of excitation that mediates superconductivity. This is the basis of the proposed new type of 'non-equilibrium' spectroscopy of high T c superconductors, which may open a possibility for direct and unambiguous determination of the coupling mechanism of high T c superconductivity. In case of low T c superconductors, the feasibility of such the non-equilibrium spectroscopy was demonstrated in classical phonon generation-detection experiments almost four decades ago. Recently it was demonstrated that a similar technique can be used for high T c superconductors, using natural intrinsic Josephson junctions both for injection of non-equilibrium quasiparticles and for detection of the non-equilibrium radiation. Here I analyze theoretically non-equilibrium phenomena in intrinsic Josephson junctions. It is shown that extreme non-equilibrium state can be achieved at bias equal to integer number of the gap voltage, which can lead to laser-like emission from the stack. I argue that identification of the boson type, constituting this non-equilibrium radiation would unambiguously reveal the coupling mechanism of high Tc superconductors.

Frontier of plasma physics. 'Research network on non-equilibrium and extreme state plasmas'

International Nuclear Information System (INIS)

Itoh, Sanae-I.; Fujisawa, Akihide; Kodama, Ryosuke; Sato, Motoyasu; Tanaka, Kazuo A.; Hatakeyama, Rikizo; Itoh, Kimitaka

2011-01-01

Plasma physics and fusion science have been applied to a wide variety of plasmas such as nuclear fusion plasmas, high-energy-density plasmas, processing plasmas and nanobio- plasmas. They are pioneering science and technology frontiers such as new energy sources and new functional materials. A large project 'research network on non-equilibrium and extreme state plasmas' is being proposed to reassess individual plasma researches from a common view of the non-equilibrium extreme plasma and to promote collaboration among plasma researchers all over the country. In the present review, recent collaborative works related to this project are being introduced. (T.I.)

Global low-frequency modes in weakly ionized magnetized plasmas: effects of equilibrium plasma rotation

International Nuclear Information System (INIS)

Sosenko, P.; Pierre, Th.; Zagorodny, A.

2004-01-01

The linear and non-linear properties of global low-frequency oscillations in cylindrical weakly ionized magnetized plasmas are investigated analytically for the conditions of equilibrium plasma rotation. The theoretical results are compared with the experimental observations of rotating plasmas in laboratory devices, such as Mistral and Mirabelle in France, and KIWI in Germany. (authors)

Mass flow and the validity of ionization equilibrium on the sun

International Nuclear Information System (INIS)

Joselyn, J.; Munro, R.H.; Holzer, T.E.

1979-01-01

Ionization equilibrium is a useful assumption which allows temperatures and other plasma properties to be deduced from spectral observations. Inherent to this assumption is the premise that the ion stage densities are determined solely by atomic processes which are local functions of the plasma temperature and electron density. However, if the time scale of plasma flow through a temperature gradient is less than the characteristic time scale for an important atomic process, deviations from the ionization stage densities expected for equilibrium will occur which could introduce serious errors into subsequent analyses. In the past few years, significant flow velocities in the upper solar atmosphere have been inferred from observations of emission lines originating in the transition region (about 10 4 -10 6 K) and corona. In this paper, 3 models of the solar atmosphere (quiet Sun, coronal hole, and a network model) are examined to determine if the emission expected from these model atmospheres could be produced from equilibrium ion populations when steady flows of several kilometers per second are assumed. If the flows are quasi-periodic instead of steady, spatial and temporal averaging inherent in the observations may allow for the construction of satisfactory models based on the assumption of ionization equilibrium. Representative emission lines are analysed for the following ions: C III, IV, O IV, V, VI, Ne VII, VIII, Mg IX, X, Si XII, Fe IX-XIV. Two principle conclusions are drawn. First, only the iron ions are generally in equilibrium for steady flows of 20 kms -1 . For carbon and oxygen, ionization equilibrium is not a valid assumption for steady flows as small as 1 kms -1 . Second, the 3 models representing different solar conditions behave in a qualitatively similar manner, implying that these results are not particularly model dependent over the range of temperature gradients and electron densities thus far inferred for the Sun. In view of the flow velocities

Non local-thermodynamical-equilibrium effects in the simulation of laser-produced plasmas

Science.gov (United States)

Klapisch, M.; Bar-Shalom, A.; Oreg, J.; Colombant, D.

1998-05-01

Local thermodynamic equilibrium (LTE) breaks down in directly or indirectly driven laser plasmas because of sharp gradients, energy deposition, etc. For modeling non-LTE effects in hydrodynamical simulations, Busquet's model [Phys. Fluids B 5, 4191 (1993)] is very convenient and efficient. It uses off-line generated LTE opacities and equation of states via an effective, radiation-dependent ionization temperature Tz. An overview of the model is given. The results are compared with an elaborate collisional radiative model based on superconfigurations. The agreements for average charge Z* and opacities are surprisingly good, even more so when the plasma is immersed in a radiation field. Some remaining discrepancy at low density is attributed to dielectronic recombination. Improvement appears possible, especially for emissivities, because the concept of ionization temperature seems to be validated.

Non-equilibrium dynamics from RPMD and CMD.

Science.gov (United States)

Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C; Miller, Thomas F

2016-11-28

We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O(t 4 ) and O(t 1 ), respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O(t 5 ) and O(t 2 ), respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.

Non local-thermodynamical-equilibrium effects in the simulation of laser-produced plasmas

International Nuclear Information System (INIS)

Klapisch, M.; Bar-Shalom, A.; Oreg, J.; Colombant, D.

1998-01-01

Local thermodynamic equilibrium (LTE) breaks down in directly or indirectly driven laser plasmas because of sharp gradients, energy deposition, etc. For modeling non-LTE effects in hydrodynamical simulations, Busquet close-quote s model [Phys. Fluids B 5, 4191 (1993)] is very convenient and efficient. It uses off-line generated LTE opacities and equation of states via an effective, radiation-dependent ionization temperature T z . An overview of the model is given. The results are compared with an elaborate collisional radiative model based on superconfigurations. The agreements for average charge Z * and opacities are surprisingly good, even more so when the plasma is immersed in a radiation field. Some remaining discrepancy at low density is attributed to dielectronic recombination. Improvement appears possible, especially for emissivities, because the concept of ionization temperature seems to be validated. copyright 1998 American Institute of Physics

A corrected NEGF + DFT approach for calculating electronic transport through molecular devices: Filling bound states and patching the non-equilibrium integration

International Nuclear Information System (INIS)

Li Rui; Zhang Jiaxing; Hou Shimin; Qian Zekan; Shen Ziyong; Zhao Xingyu; Xue Zengquan

2007-01-01

We discuss two problems in the conventional approach for studying charge transport in molecular electronic devices that is based on the non-equilibrium Green's function formalism and density functional theory, i.e., the bound states and the numerical integration of the non-equilibrium density matrix. A scheme of filling the bound states in the bias window and a method of patching the non-equilibrium integration are proposed, both of which are referred to as the non-equilibrium correction. The discussion is illustrated by means of calculations on a model system consisting of a 4,4 bipyridine molecule connected to two semi-infinite gold monatomic chains

Non-ionizing radiation

International Nuclear Information System (INIS)

Fischer, P.G.

1983-01-01

The still growing use of non-ionizing radiation such as ultraviolet radiation laser light, ultrasound and infrasound, has induced growing interest in the effects of these types of radiation on the human organism, and in probable hazards emanating from their application. As there are up to now no generally approved regulations or standards governing the use of non-ionizing radiation and the prevention of damage, it is up to the manufacturers of the relevant equipment to provide for safety in the use of their apparatus. This situation has led to a feeling of incertainty among manufacturers, as to how which kind of damage should be avoided. Practice has shown that there is a demand for guidelines stating limiting values, for measuring techniques clearly indicating safety thresholds, and for safety rules providing for safe handling. The task group 'Non-ionizing radiation' of the Radiation Protection Association started a programme to fulfill this task. Experts interested in this work have been invited to exchange their knowledge and experience in this field, and a collection of loose leaves will soon be published giving information and recommendations. (orig./HP) [de

Health Effects of Non-Ionizing Radiation on Human

International Nuclear Information System (INIS)

Zubaidah-Alatas; Yanti Lusiyanti

2001-01-01

Increases of development and use of equipment that procedures non-ionizing radiant energy such as laser, radar, microwave ovens, power lines and hand phones, bring about public concern about the possible health effects owing to the non-ionizing radiation exposure. Non ionizing electromagnetic radiation compared to ionizing radiation, has longer wavelength, lower frequency, and lower photon energy in its interaction with body tissues. The term on non-ionizing radiation refers to the groups of electromagnetic radiations with energies less than about 10 eV corresponding to wavelengths in the ultraviolet, visible, infra red microwave and radiofrequency spectral regions. This paper describes the current state of knowledge about types of non-ionizing radiation and the health effects at molecular and cellular levels as well as its effects on human health. (author)

Non-equilibrium dynamics of one-dimensional Bose gases

International Nuclear Information System (INIS)

Langen, T.

2013-01-01

Understanding the non-equilibrium dynamics of isolated quantum many-body systems is an open problem on vastly different energy, length, and time scales. Examples range from the dynamics of the early universe and heavy-ion collisions to the subtle coherence and transport properties in condensed matter physics. However, realizations of such quantum many-body systems, which are both well isolated from the environment and accessible to experimental study are scarce. This thesis presents a series of experiments with ultracold one-dimensional Bose gases. These gases combine a nearly perfect isolation from the environment with many well-established methods to manipulate and probe their quantum states. This makes them an ideal model system to explore the physics of quantum many body systems out of equilibrium. In the experiments, a well-defined non-equilibrium state is created by splitting a single one-dimensional gas coherently into two parts. The relaxation of this state is probed using matter-wave interferometry. The Observations reveal the emergence of a prethermalized steady state which differs strongly from thermal equilibrium. Such thermal-like states had previously been predicted for a large variety of systems, but never been observed directly. Studying the relaxation process in further detail shows that the thermal correlations of the prethermalized state emerge locally in their final form and propagate through the system in a light-cone-like evolution. This provides first experimental evidence for the local relaxation conjecture, which links relaxation processes in quantum many-body systems to the propagation of correlations. Furthermore, engineering the initial state of the evolution demonstrates that the prethermalized state is described by a generalized Gibbs ensemble, an observation which substantiates the importance of this ensemble as an extension of standard statistical mechanics. Finally, an experiment is presented, where pairs of gases with an atom

How should we understand non-equilibrium many-body steady states?

Science.gov (United States)

Maghrebi, Mohammad; Gorshkov, Alexey

: Many-body systems with both coherent dynamics and dissipation constitute a rich class of models which are nevertheless much less explored than their dissipationless counterparts. The advent of numerous experimental platforms that simulate such dynamics poses an immediate challenge to systematically understand and classify these models. In particular, nontrivial many-body states emerge as steady states under non-equilibrium dynamics. In this talk, I use a field-theoretic approach based on the Keldysh formalism to study nonequilibrium phases and phase transitions in such models. I show that an effective temperature generically emerges as a result of dissipation, and the universal behavior including the dynamics near the steady state is described by a thermodynamic universality class. In the end, I will also discuss possibilities that go beyond the paradigm of an effective thermodynamic behavior.

Force-dominated non-equilibrium oxidation kinetics of tantalum

International Nuclear Information System (INIS)

Kar, Prasenjit; Wang, Ke; Liang, Hong

2008-01-01

Using a combined electrochemical and mechanical manipulation technique, we compared the equilibrium and non-equilibrium oxidation processes and states of tantalum. Experimentally, a setup was developed with an electrochemical system attached to a sliding mechanical configuration capable of friction force measurement. The surface chemistry of a sliding surface, i.e., tantalum, was modified through the electrolyte. The mechanically applied force was fixed and the dynamics of the surface was monitored in situ through a force sensor. The formation of non-equilibrium oxidation states of tantalum was found in oxidation limiting environment of acetic acid. An oxidative environment of deionized water saturated with KCl was used as comparison. We proposed a modified Arrhenius-Eyring equation in which the mechanical factor was considered. We found that the mechanical energy induced the non-stable-state reactions leading to metastable oxidation states of tantalum. This equation can be used to predict mechanochemical reactions that are important in many industrial applications

Dynamics and non-equilibrium steady state in a system of coupled harmonic oscillators

Energy Technology Data Exchange (ETDEWEB)

Ghesquière, Anne, E-mail: Anne.Ghesquiere@nithep.ac.za; Sinayskiy, Ilya, E-mail: sinayskiy@ukzn.ac.za; Petruccione, Francesco, E-mail: petruccione@ukzn.ac.za

2013-10-15

A system of two coupled oscillators, each of them coupled to an independent reservoir, is analysed. The analytical solution of the non-rotating wave master equation is obtained in the high-temperature and weak coupling limits. No thermal entanglement is found in the high-temperature limit. In the weak coupling limit the system converges to an entangled non-equilibrium steady state. A critical temperature for the appearance of quantum correlations is found.

Non-equilibrium steady state of a driven levitated particle with feedback cooling

International Nuclear Information System (INIS)

Gieseler, Jan; Novotny, Lukas; Moritz, Clemens; Dellago, Christoph

2015-01-01

Laser trapped nanoparticles have been recently used as model systems to study fundamental relations holding far from equilibrium. Here we study a nanoscale silica sphere levitated by a laser in a low density gas. The center of mass motion of the particle is subjected, at the same time, to feedback cooling and a parametric modulation driving the system into a non-equilibrium steady state. Based on the Langevin equation of motion of the particle, we derive an analytical expression for the energy distribution of this steady state showing that the average and variance of the energy distribution can be controlled separately by appropriate choice of the friction, cooling and modulation parameters. Energy distributions determined in computer simulations and measured in a laboratory experiment agree well with the analytical predictions. We analyze the particle motion also in terms of the quadratures and find thermal squeezing depending on the degree of detuning. (paper)

Determination of equilibrium composition of thermally ionized monoatomic gas under different physical conditions

Science.gov (United States)

Romanova, M. S.; Rydalevskaya, M. A.

2017-05-01

Perfect gas mixtures that result from thermal ionization of spatially and chemically homogeneous monoatomic gases are considered. Equilibrium concentrations of the components of such mixtures are determined using integration over the momentum space and summation with respect to energy levels of the distribution functions that maximize the entropy of system under condition for constancy of the total number of nuclei and electrons. It is demonstrated that such a method allows significant simplification of the calculation of the equilibrium composition for ionized mixtures at different temperatures and makes it possible to study the degree of ionization of gas versus gas density and number in the periodic table of elements.

Approximate thermodynamic state relations in partially ionized gas mixtures

International Nuclear Information System (INIS)

Ramshaw, John D.

2004-01-01

Thermodynamic state relations for mixtures of partially ionized nonideal gases are often approximated by artificially partitioning the mixture into compartments or subvolumes occupied by the pure partially ionized constituent gases, and requiring these subvolumes to be in temperature and pressure equilibrium. This intuitively reasonable procedure is easily shown to reproduce the correct thermal and caloric state equations for a mixture of neutral (nonionized) ideal gases. The purpose of this paper is to point out that (a) this procedure leads to incorrect state equations for a mixture of partially ionized ideal gases, whereas (b) the alternative procedure of requiring that the subvolumes all have the same temperature and free electron density reproduces the correct thermal and caloric state equations for such a mixture. These results readily generalize to the case of partially degenerate and/or relativistic electrons, to a common approximation used to represent pressure ionization effects, and to two-temperature plasmas. This suggests that equating the subvolume electron number densities or chemical potentials instead of pressures is likely to provide a more accurate approximation in nonideal plasma mixtures

Noise-Induced Modulation of the Relaxation Kinetics around a Non-Equilibrium Steady State of Non-Linear Chemical Reaction Networks

OpenAIRE

Ramaswamy, Rajesh; Sbalzarini, Ivo F; González-Segredo, Nélido

2011-01-01

Stochastic effects from correlated noise non-trivially modulate the kinetics of non-linear chemical reaction networks. This is especially important in systems where reactions are confined to small volumes and reactants are delivered in bursts. We characterise how the two noise sources confinement and burst modulate the relaxation kinetics of a non-linear reaction network around a non-equilibrium steady state. We find that the lifetimes of species change with burst input and confinement. Confi...

Exploring Chemical and Thermal Non-equilibrium in Nitrogen Arcs

International Nuclear Information System (INIS)

Ghorui, S; Das, A K

2012-01-01

Plasma torches operating with nitrogen are of special importance as they can operate with usual tungsten based refractory electrodes and offer radical rich non-oxidizing high temperature environment for plasma chemistry. Strong gradients in temperature as well as species densities and huge convective fluxes lead to varying degrees of chemical non-equilibrium in associated regions. An axi-symmetric two-temperature chemical non-equilibrium model of a nitrogen plasma torch has been developed to understand the effects of thermal and chemical non-equilibrium in arcs. A 2-D finite volume CFD code in association with a non-equilibrium property routine enabled extraction of steady state self-consistent distributions of various plasma quantities inside the torch under various thermal and chemical non-equilibrium conditions. Chemical non-equilibrium has been incorporated through computation of diffusive and convective fluxes in each finite volume cell in every iteration and associating corresponding thermodynamic and transport properties through the scheme of 'chemical non-equilibrium parameter' introduced by Ghorui et. al. Recombination coefficient data from Nahar et. al. and radiation data from Krey and Morris have been used in the simulation. Results are presented for distributions of temperature, pressure, velocity, current density, electric potential, species densities and chemical non-equilibrium effects. Obtained results are compared with similar results under LTE.

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

Equilibrium and non equilibrium in fragmentation

International Nuclear Information System (INIS)

Dorso, C.O.; Chernomoretz, A.; Lopez, J.A.

2001-01-01

Full text: In this communication we present recent results regarding the interplay of equilibrium and non equilibrium in the process of fragmentation of excited finite Lennard Jones drops. Because the general features of such a potential resemble the ones of the nuclear interaction (fact that is reinforced by the similarity between the EOS of both systems) these studies are not only relevant from a fundamental point of view but also shed light on the problem of nuclear multifragmentation. We focus on the microscopic analysis of the state of the fragmenting system at fragmentation time. We show that the Caloric Curve (i e. the functional relationship between the temperature of the system and the excitation energy) is of the type rise plateau with no vapor branch. The usual rise plateau rise pattern is only recovered when equilibrium is artificially imposed. This result puts a serious question on the validity of the freeze out hypothesis. This feature is independent of the dimensionality or excitation mechanism. Moreover we explore the behavior of magnitudes which can help us determine the degree of the assumed phase transition. It is found that no clear cut criteria is presently available. (Author)

PAINeT: An object-oriented software package for simulations of flow-field, transport coefficients and flux terms in non-equilibrium gas mixture flows

Science.gov (United States)

Istomin, V. A.

2018-05-01

The software package Planet Atmosphere Investigator of Non-equilibrium Thermodynamics (PAINeT) has been devel-oped for studying the non-equilibrium effects associated with electronic excitation, chemical reactions and ionization. These studies are necessary for modeling process in shock tubes, in high enthalpy flows, in nozzles or jet engines, in combustion and explosion processes, in modern plasma-chemical and laser technologies. The advantages and possibilities of the package implementation are stated. Within the framework of the package implementation, based on kinetic theory approximations (one-temperature and state-to-state approaches), calculations are carried out, and the limits of applicability of a simplified description of shock-heated air flows and any other mixtures chosen by the user are given. Using kinetic theory algorithms, a numerical calculation of the heat fluxes and relaxation terms can be performed, which is necessary for further comparison of engineering simulation with experi-mental data. The influence of state-to-state distributions over electronic energy levels on the coefficients of thermal conductivity, diffusion, heat fluxes and diffusion velocities of the components of various gas mixtures behind shock waves is studied. Using the software package the accuracy of different approximations of the kinetic theory of gases is estimated. As an example state-resolved atomic ionized mixture of N/N+/O/O+/e- is considered. It is shown that state-resolved diffusion coefficients of neutral and ionized species vary from level to level. Comparing results of engineering applications with those given by PAINeT, recommendations for adequate models selection are proposed.

Non-equilibrium fluctuation-induced interactions

International Nuclear Information System (INIS)

Dean, David S

2012-01-01

We discuss non-equilibrium aspects of fluctuation-induced interactions. While the equilibrium behavior of such interactions has been extensively studied and is relatively well understood, the study of these interactions out of equilibrium is relatively new. We discuss recent results on the non-equilibrium behavior of systems whose dynamics is of the dissipative stochastic type and identify a number of outstanding problems concerning non-equilibrium fluctuation-induced interactions.

Time-dependent ionization balance model for non-LTE plasma

International Nuclear Information System (INIS)

Lee, Y.T.; Zimmerman, G.B.; Bailey, D.S.; Dickson, D.; Kim, D.

1986-01-01

We have developed a detailed configuration-accounting kinetic model for calculating time-dependent ionization-balance and ion-level populations in non-local thermal-equilibrium (non-LTE) plasmas. We use these population estimates in computing spectral line intensities, line ratios, and synthetic spectra, and in fitting these calculated values to experimental measurements. The model is also used to design laboratory x-ray laser experiments. For this purpose, it is self-consistently coupled to the hydrodynamics code LASNEX. 20 refs., 14 figs

The Non-Equilibrium Statistical Distribution Function for Electrons and Holes in Semiconductor Heterostructures in Steady-State Conditions

Directory of Open Access Journals (Sweden)

Krzysztof Jόzwikowska

2015-06-01

Full Text Available The main goal of this work is to determine a statistical non-equilibrium distribution function for the electron and holes in semiconductor heterostructures in steady-state conditions. Based on the postulates of local equilibrium, as well as on the integral form of the weighted Gyarmati’s variational principle in the force representation, using an alternative method, we have derived general expressions, which have the form of the Fermi–Dirac distribution function with four additional components. The physical interpretation of these components has been carried out in this paper. Some numerical results of a non-equilibrium distribution function for an electron in HgCdTe structures are also presented.

Equilibrium and non-equilibrium phenomena in arcs and torches

NARCIS (Netherlands)

Mullen, van der J.J.A.M.

2000-01-01

A general treatment of non-equilibrium plasma aspects is obtained by relating transport fluxes to equilibrium restoring processes in so-called disturbed Bilateral Relations. The (non) equilibrium stage of a small microwave induced plasma serves as case study.

Non-equilibrium thermodynamics, maximum entropy production and Earth-system evolution.

Science.gov (United States)

Kleidon, Axel

2010-01-13

The present-day atmosphere is in a unique state far from thermodynamic equilibrium. This uniqueness is for instance reflected in the high concentration of molecular oxygen and the low relative humidity in the atmosphere. Given that the concentration of atmospheric oxygen has likely increased throughout Earth-system history, we can ask whether this trend can be generalized to a trend of Earth-system evolution that is directed away from thermodynamic equilibrium, why we would expect such a trend to take place and what it would imply for Earth-system evolution as a whole. The justification for such a trend could be found in the proposed general principle of maximum entropy production (MEP), which states that non-equilibrium thermodynamic systems maintain steady states at which entropy production is maximized. Here, I justify and demonstrate this application of MEP to the Earth at the planetary scale. I first describe the non-equilibrium thermodynamic nature of Earth-system processes and distinguish processes that drive the system's state away from equilibrium from those that are directed towards equilibrium. I formulate the interactions among these processes from a thermodynamic perspective and then connect them to a holistic view of the planetary thermodynamic state of the Earth system. In conclusion, non-equilibrium thermodynamics and MEP have the potential to provide a simple and holistic theory of Earth-system functioning. This theory can be used to derive overall evolutionary trends of the Earth's past, identify the role that life plays in driving thermodynamic states far from equilibrium, identify habitability in other planetary environments and evaluate human impacts on Earth-system functioning. This journal is © 2010 The Royal Society

Decay of non-equilibrium polariton condensate in semiconductors

International Nuclear Information System (INIS)

Beloussov, I.V.; Shvera, Y.M.

1993-08-01

Excitation dynamics of polariton quantum fluctuations arising in direct-gap semi-conductor as a result of parametric decay of non-equilibrium polariton condensate with non-zero wave vector is studied. The predominant mechanism of polariton scattering is supposed to be exciton-exciton interaction. Steady state which corresponds to the case of dynamic equilibrium between the polariton condensate and quantum fluctuations is obtained. Distribution functions of non-condensate polaritons are localized in the resonant regions, corresponding to two-particle excitation of polaritons from the condensate. The spectrum of elementary excitations in steady state coincides with usual polariton energy with the shift proportional to initial density of polariton condensate. (author). 25 refs

The effect of SNR structure on non-equilibrium X-ray spectra

International Nuclear Information System (INIS)

Hamilton, A.J.S.; Sarazin, C.L.

1983-01-01

A technique is presented for characterizing the ionization structure and consequent thermal X-ray emission of a SNR when non-equilibrium ionization effects are important. The technique allows different theoretical SNR models to be compared and contrasted rapidly in advance of detailed numerical computations. In particular it is shown that the spectrum of a Sedov remnant can probably be applied satisfactorily in a variety of SNR structures, including the reverse shock model advocated by Chevalier (1982) for Type I SN, the isothermal similarity solution of Solinger, Rappaport and Buff (1975), and various inhomogenous or 'messy' structures. (Auth.)

Non-equilibrium phase transitions in complex plasma

International Nuclear Information System (INIS)

Suetterlin, K R; Raeth, C; Ivlev, A V; Thomas, H M; Khrapak, S; Zhdanov, S; Rubin-Zuzic, M; Morfill, G E; Wysocki, A; Loewen, H; Goedheer, W J; Fortov, V E; Lipaev, A M; Molotkov, V I; Petrov, O F

2010-01-01

Complex plasma being the 'plasma state of soft matter' is especially suitable for investigations of non-equilibrium phase transitions. Non-equilibrium phase transitions can manifest in dissipative structures or self-organization. Two specific examples are lane formation and phase separation. Using the permanent microgravity laboratory PK-3 Plus, operating onboard the International Space Station, we performed unique experiments with binary mixtures of complex plasmas that showed both lane formation and phase separation. These observations have been augmented by comprehensive numerical and theoretical studies. In this paper we present an overview of our most important results. In addition we put our results in context with research of complex plasmas, binary systems and non-equilibrium phase transitions. Necessary and promising future complex plasma experiments on phase separation and lane formation are briefly discussed.

Non-equilibrium Economics

Directory of Open Access Journals (Sweden)

Katalin Martinás

2007-02-01

Full Text Available A microeconomic, agent based framework to dynamic economics is formulated in a materialist approach. An axiomatic foundation of a non-equilibrium microeconomics is outlined. Economic activity is modelled as transformation and transport of commodities (materials owned by the agents. Rate of transformations (production intensity, and the rate of transport (trade are defined by the agents. Economic decision rules are derived from the observed economic behaviour. The non-linear equations are solved numerically for a model economy. Numerical solutions for simple model economies suggest that the some of the results of general equilibrium economics are consequences only of the equilibrium hypothesis. We show that perfect competition of selfish agents does not guarantee the stability of economic equilibrium, but cooperativity is needed, too.

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

Energy Technology Data Exchange (ETDEWEB)

Liu, Yen, E-mail: yen.liu@nasa.gov; Vinokur, Marcel [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, Marco; Sahai, Amal [University of Illinois, Urbana-Champaign, Illinois 61801 (United States)

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

Science.gov (United States)

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-01

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.

Science.gov (United States)

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

International Nuclear Information System (INIS)

Liu, Yen; Vinokur, Marcel; Panesi, Marco; Sahai, Amal

2015-01-01

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

A Study of the Polycondensation of (Tetrahydroxy(TetraarylCyclotetrasiloxanes under Equilibrium and Non-Equilibrium Conditions in the Presence and Absence of Montmorillonite

Directory of Open Access Journals (Sweden)

Nataliya N. Makarova

2018-04-01

Full Text Available Oligo- and polycyclosiloxanes were obtained by the polycondensation of (tetrahydroxy(tetraarylcyclotetrasiloxanes in equilibrium and non-equilibrium conditions in the presence and absence of montmorillonite (MMT. Their composition and the structures of their components were investigated by infrared (IR spectroscopy, 29Si nuclear magnetic resonance (NMR spectroscopy, atmospheric pressure chemical ionization (APCI mass spectrometry, powder X-ray diffraction (XRD, and gel-penetrating chromatography (GPC. Also, a comparison of polymers formed in the presence of MMT and via anionic polymerization was performed showing differences in their structures.

Ionization equilibrium in dense plasmas

International Nuclear Information System (INIS)

Ying, R.

1987-01-01

The average degree of ionization for a strongly coupled plasma is investigated and calculated. Two widely used approaches: the Saha equation method and the Thomas-Fermi (TF) statistical atomic model are adopted to determine the degree of ionization. Both methods are modified in a number of ways to include the strong-coupling effect in the plasma. In the Saha equation approach, the strong-coupling effects are introduced through: (i) a replacement of the Coulomb potential by a screened Debye potential; (ii) adoption of the Planck-Larkin partition function; (iii) description of the electron component by Fermi-Dirac statistics. The calculated degree of ionization exceeds that obtained from the original Saha equation, exhibits a minimum as a function of the density and shows an abrupt phase transition from weakly ionized to a fully ionized state. The zero-temperature TF model for compressed ions and the finite-temperature TF model for ions are investigated for the first time. In order to take into account the strong-coupling effect in a systematic way, a strong-coupling TF model is set up. Favorable results with the relatively simple approximations indicate that the newly established strong-coupling TF model is a more systematic and physically consistent approach

Thermodynamic chemical energy transfer mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium chemical reactions

International Nuclear Information System (INIS)

Roh, Heui-Seol

2015-01-01

Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms

Open problems in non-equilibrium physics

International Nuclear Information System (INIS)

Kusnezov, D.

1997-01-01

The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions

Open problems in non-equilibrium physics

Energy Technology Data Exchange (ETDEWEB)

Kusnezov, D.

1997-09-22

The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.

Equilibrium solubility measurement of ionizable drugs – consensus recommendations for improving data quality

Directory of Open Access Journals (Sweden)

Alex Avdeef

2016-06-01

Full Text Available This commentary addresses data quality in equilibrium solubility measurement in aqueous solution. Broadly discussed is the “gold standard” shake-flask (SF method used to measure equilibrium solubility of ionizable drug-like molecules as a function of pH. Many factors affecting the quality of the measurement are recognized. Case studies illustrating the analysis of both solution and solid state aspects of solubility measurement are presented. Coverage includes drug aggregation in solution (sub-micellar, micellar, complexation, use of mass spectrometry to assess aggregation in saturated solutions, solid state characterization (salts, polymorphs, cocrystals, polymorph creation by potentiometric method, solubility type (water, buffer, intrinsic, temperature, ionic strength, pH measurement, buffer issues, critical knowledge of the pKa, equilibration time (stirring and sedimentation, separating solid from saturated solution, solution handling and adsorption to untreated surfaces, solubility units, and tabulation/graphic presentation of reported data. The goal is to present cohesive recommendations that could lead to better assay design, to result in improved quality of measurements, and to impart a deeper understanding of the underlying solution chemistry in suspensions of drug solids.

X-ray scattering studies of non-equilibrium ordering processes

International Nuclear Information System (INIS)

Nagler, S.E.

1990-01-01

We report on the progress of our project entitled ''X-ray Scattering of Non-Equilibrium Ordering Processes.'' During the past year we have made the first synchrotron measurements of ordering in Cu 3 Au have revealed the presence of an intermediate, non-equilibrium ordered state. Preliminary work involving x-ray magnetic scattering has been carried out. Work is continuing in these areas as well as on related problems. 5 refs

Self-assembled materials and supramolecular chemistry within microfluidic environments: from common thermodynamic states to non-equilibrium structures.

Science.gov (United States)

Sevim, S; Sorrenti, A; Franco, C; Furukawa, S; Pané, S; deMello, A J; Puigmartí-Luis, J

2018-05-01

Self-assembly is a crucial component in the bottom-up fabrication of hierarchical supramolecular structures and advanced functional materials. Control has traditionally relied on the use of encoded building blocks bearing suitable moieties for recognition and interaction, with targeting of the thermodynamic equilibrium state. On the other hand, nature leverages the control of reaction-diffusion processes to create hierarchically organized materials with surprisingly complex biological functions. Indeed, under non-equilibrium conditions (kinetic control), the spatio-temporal command of chemical gradients and reactant mixing during self-assembly (the creation of non-uniform chemical environments for example) can strongly affect the outcome of the self-assembly process. This directly enables a precise control over material properties and functions. In this tutorial review, we show how the unique physical conditions offered by microfluidic technologies can be advantageously used to control the self-assembly of materials and of supramolecular aggregates in solution, making possible the isolation of intermediate states and unprecedented non-equilibrium structures, as well as the emergence of novel functions. Selected examples from the literature will be used to confirm that microfluidic devices are an invaluable toolbox technology for unveiling, understanding and steering self-assembly pathways to desired structures, properties and functions, as well as advanced processing tools for device fabrication and integration.

A class of almost equilibrium states in Robertson-Walker spacetimes

Energy Technology Data Exchange (ETDEWEB)

Kueskue, Muharrem

2008-11-06

In quantum field theory in curved spacetimes the construction of the algebra of observables of linear fields is today well understood. However, it remains a non-trivial task to construct physically meaningful states on the algebra. For instance, we are in the unsatisfactory situation that there exist no examples of states suited to describe local thermal equilibrium in a non-stationary spacetime. In this thesis, we construct a class of states for the Klein-Gordon field in Robertson-Walker spacetimes, which seem to provide the first example of thermal states in a spacetime without time translation symmetry. More precisely, in the setting of real, linear, scalar fields in Robertson-Walker spacetimes we define on the set of homogeneous, isotropic, quasi-free states a free energy functional that is based on the averaged energy density measured by an isotropic observer along his worldline. This functional is well defined and lower bounded by a suitable quantum energy inequality. Subsequently, we minimize this functional and obtain states that we interpret as 'almost equilibrium states'. It turns out that the states of low energy are the ground states of the almost equilibrium states. Finally, we prove that the almost equilibrium states satisfy the Hadamard condition, which qualifies them as physically meaningful states. (orig.)

A class of almost equilibrium states in Robertson-Walker spacetimes

International Nuclear Information System (INIS)

Kueskue, Muharrem

2008-01-01

In quantum field theory in curved spacetimes the construction of the algebra of observables of linear fields is today well understood. However, it remains a non-trivial task to construct physically meaningful states on the algebra. For instance, we are in the unsatisfactory situation that there exist no examples of states suited to describe local thermal equilibrium in a non-stationary spacetime. In this thesis, we construct a class of states for the Klein-Gordon field in Robertson-Walker spacetimes, which seem to provide the first example of thermal states in a spacetime without time translation symmetry. More precisely, in the setting of real, linear, scalar fields in Robertson-Walker spacetimes we define on the set of homogeneous, isotropic, quasi-free states a free energy functional that is based on the averaged energy density measured by an isotropic observer along his worldline. This functional is well defined and lower bounded by a suitable quantum energy inequality. Subsequently, we minimize this functional and obtain states that we interpret as 'almost equilibrium states'. It turns out that the states of low energy are the ground states of the almost equilibrium states. Finally, we prove that the almost equilibrium states satisfy the Hadamard condition, which qualifies them as physically meaningful states. (orig.)

Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

International Nuclear Information System (INIS)

You, Zhi-Qiang; Herbert, John M.; Mewes, Jan-Michael; Dreuw, Andreas

2015-01-01

The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents

Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

Energy Technology Data Exchange (ETDEWEB)

You, Zhi-Qiang; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210 (United States); Mewes, Jan-Michael; Dreuw, Andreas [Interdisciplinary Center for Scientific Computing, Ruprechts-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany)

2015-11-28

The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.

Noise-induced modulation of the relaxation kinetics around a non-equilibrium steady state of non-linear chemical reaction networks.

Science.gov (United States)

Ramaswamy, Rajesh; Sbalzarini, Ivo F; González-Segredo, Nélido

2011-01-28

Stochastic effects from correlated noise non-trivially modulate the kinetics of non-linear chemical reaction networks. This is especially important in systems where reactions are confined to small volumes and reactants are delivered in bursts. We characterise how the two noise sources confinement and burst modulate the relaxation kinetics of a non-linear reaction network around a non-equilibrium steady state. We find that the lifetimes of species change with burst input and confinement. Confinement increases the lifetimes of all species that are involved in any non-linear reaction as a reactant. Burst monotonically increases or decreases lifetimes. Competition between burst-induced and confinement-induced modulation may hence lead to a non-monotonic modulation. We quantify lifetime as the integral of the time autocorrelation function (ACF) of concentration fluctuations around a non-equilibrium steady state of the reaction network. Furthermore, we look at the first and second derivatives of the ACF, each of which is affected in opposite ways by burst and confinement. This allows discriminating between these two noise sources. We analytically derive the ACF from the linear Fokker-Planck approximation of the chemical master equation in order to establish a baseline for the burst-induced modulation at low confinement. Effects of higher confinement are then studied using a partial-propensity stochastic simulation algorithm. The results presented here may help understand the mechanisms that deviate stochastic kinetics from its deterministic counterpart. In addition, they may be instrumental when using fluorescence-lifetime imaging microscopy (FLIM) or fluorescence-correlation spectroscopy (FCS) to measure confinement and burst in systems with known reaction rates, or, alternatively, to correct for the effects of confinement and burst when experimentally measuring reaction rates.

[Ionizing and non-ionizing radiation (comparative risk estimations)].

Science.gov (United States)

Grigor'ev, Iu G

2012-01-01

The population has widely used mobile communication for already more than 15 years. It is important to note that the use of mobile communication has sharply changed the conditions of daily exposure of the population to EME We expose our brain daily for the first time in the entire civilization. The mobile phone is an open and uncontrollable source of electromagnetic radiation. The comparative risk estimation for the population of ionizing and non-ionizing radiation was carried out taking into account the real conditions of influence. Comparison of risks for the population of ionizing and non-ionizing radiation leads us to a conclusion that EMF RF exposure in conditions of wide use of mobile communication is potentially more harmful than ionizing radiation influence.

Non-equilibrium Dynamics, Thermalization and Entropy Production

International Nuclear Information System (INIS)

Hinrichsen, Haye; Janotta, Peter; Gogolin, Christian

2011-01-01

This paper addresses fundamental aspects of statistical mechanics such as the motivation of a classical state space with spontaneous transitions, the meaning of non-equilibrium in the context of thermalization, and the justification of these concepts from the quantum-mechanical point of view. After an introductory part we focus on the problem of entropy production in non-equilibrium systems. In particular, the generally accepted formula for entropy production in the environment is analyzed from a critical perspective. It is shown that this formula is only valid in the limit of separated time scales of the system's and the environmental degrees of freedom. Finally, we present an alternative simple proof of the fluctuation theorem.

Structure of non-equilibrium seeded plasma excited with microwave; Micro ha reiki hiheiko seed plasma no kozo

Energy Technology Data Exchange (ETDEWEB)

Miyakawa, M.; Murakami, T.; Suekane, T.; Okuno, Y.; Kabashima, S. [Tokyo Institute of Technology, Tokyo (Japan)

1996-10-20

Structure of non-equilibrium cesium seeded argon plasma excited with microwave power is simulated numerically. The plasmas produced at suitable microwave powers are found to consist of three regimes, that is, the region limited by charged particle loss toward the wall, the full seed ionization and the diffusion limited regions. The fully ionized seed plasma is produced within the skin-depth determined by the electrical conductivity of the plasma, and the thickness of the fully ionized seed plasma depends on the seed fractions gas pressure and microwave power. 15 refs., 6 figs.

Shape characteristics of equilibrium and non-equilibrium fractal clusters.

Science.gov (United States)

Mansfield, Marc L; Douglas, Jack F

2013-07-28

It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other

Dynamical Cooper pairing in non-equilibrium electron-phonon systems

Energy Technology Data Exchange (ETDEWEB)

Knap, Michael [Technical University of Munich (Germany); Harvard University (United States); Babadi, Mehrtash; Refael, Gil [Caltech (United States); Martin, Ivar [Argonne National Laboratory (United States); Demler, Eugene [Harvard University (United States)

2016-07-01

Ultrafast laser pulses have been used to manipulate complex quantum materials and to induce dynamical phase transitions. One of the most striking examples is the transient enhancement of superconductivity in several classes of materials upon irradiating them with high intensity pulses of terahertz light. Motivated by these experiments we analyze the Cooper pairing instabilities in non-equilibrium electron-phonon systems. We demonstrate that the light induced non-equilibrium state of phonons results in a simultaneous increase of the superconducting coupling constant and the electron scattering. We analyze the competition between these effects and show that in a broad range of parameters the dynamic enhancement of Cooper pair formation dominates over the increase in the scattering rate. This opens the possibility of transient light induced superconductivity at temperatures that are considerably higher than the equilibrium transition temperatures. Our results pave new pathways for engineering high-temperature light-induced superconducting states.

Self-organization of dissipative and coherent vortex structures in non-equilibrium magnetized two-dimensional plasmas

International Nuclear Information System (INIS)

Bystrenko, O; Bystrenko, T

2010-01-01

The properties of non-equilibrium magnetized plasmas confined in planar geometry are studied on the basis of first-principle microscopic Langevin dynamics computer simulations. The non-equilibrium state of plasmas is maintained due to the recombination and generation of charges. The intrinsic microscopic structure of non-equilibrium steady-state magnetized plasmas, in particular the inter-particle correlations and self-organization of vortex structures, are examined. The simulations have been performed for a wide range of parameters including strong plasma coupling, high charge recombination and generation rates and intense magnetic field. As is shown in simulations, the non-equilibrium recombination and generation processes trigger the formation of ordered dissipative or coherent drift vortex states in 2D plasmas with distinctly spatially separated components, which are far from thermal equilibrium. This is evident from the unusual properties of binary distributions and behavior of the Coulomb energy of the system, which turn out to be quite different from the ones typical for the equilibrium state of plasmas under the same conditions.

Non-Equilibrium Turbulence and Two-Equation Modeling

Science.gov (United States)

Rubinstein, Robert

2011-01-01

Two-equation turbulence models are analyzed from the perspective of spectral closure theories. Kolmogorov theory provides useful information for models, but it is limited to equilibrium conditions in which the energy spectrum has relaxed to a steady state consistent with the forcing at large scales; it does not describe transient evolution between such states. Transient evolution is necessarily through nonequilibrium states, which can only be found from a theory of turbulence evolution, such as one provided by a spectral closure. When the departure from equilibrium is small, perturbation theory can be used to approximate the evolution by a two-equation model. The perturbation theory also gives explicit conditions under which this model can be valid, and when it will fail. Implications of the non-equilibrium corrections for the classic Tennekes-Lumley balance in the dissipation rate equation are drawn: it is possible to establish both the cancellation of the leading order Re1/2 divergent contributions to vortex stretching and enstrophy destruction, and the existence of a nonzero difference which is finite in the limit of infinite Reynolds number.

Note: Local thermal conductivities from boundary driven non-equilibrium molecular dynamics simulations

International Nuclear Information System (INIS)

Bresme, F.; Armstrong, J.

2014-01-01

We report non-equilibrium molecular dynamics simulations of heat transport in models of molecular fluids. We show that the “local” thermal conductivities obtained from non-equilibrium molecular dynamics simulations agree within numerical accuracy with equilibrium Green-Kubo computations. Our results support the local equilibrium hypothesis for transport properties. We show how to use the local dependence of the thermal gradients to quantify the thermal conductivity of molecular fluids for a wide range of thermodynamic states using a single simulation

Noise-induced modulation of the relaxation kinetics around a non-equilibrium steady state of non-linear chemical reaction networks.

Directory of Open Access Journals (Sweden)

Rajesh Ramaswamy

2011-01-01

Full Text Available Stochastic effects from correlated noise non-trivially modulate the kinetics of non-linear chemical reaction networks. This is especially important in systems where reactions are confined to small volumes and reactants are delivered in bursts. We characterise how the two noise sources confinement and burst modulate the relaxation kinetics of a non-linear reaction network around a non-equilibrium steady state. We find that the lifetimes of species change with burst input and confinement. Confinement increases the lifetimes of all species that are involved in any non-linear reaction as a reactant. Burst monotonically increases or decreases lifetimes. Competition between burst-induced and confinement-induced modulation may hence lead to a non-monotonic modulation. We quantify lifetime as the integral of the time autocorrelation function (ACF of concentration fluctuations around a non-equilibrium steady state of the reaction network. Furthermore, we look at the first and second derivatives of the ACF, each of which is affected in opposite ways by burst and confinement. This allows discriminating between these two noise sources. We analytically derive the ACF from the linear Fokker-Planck approximation of the chemical master equation in order to establish a baseline for the burst-induced modulation at low confinement. Effects of higher confinement are then studied using a partial-propensity stochastic simulation algorithm. The results presented here may help understand the mechanisms that deviate stochastic kinetics from its deterministic counterpart. In addition, they may be instrumental when using fluorescence-lifetime imaging microscopy (FLIM or fluorescence-correlation spectroscopy (FCS to measure confinement and burst in systems with known reaction rates, or, alternatively, to correct for the effects of confinement and burst when experimentally measuring reaction rates.

Coherent application of a contact structure to formulate Classical Non-Equilibrium Thermodynamics

NARCIS (Netherlands)

Knobbe, E; Roekaerts, D.J.E.M.

2017-01-01

This contribution presents an outline of a new mathematical formulation for
Classical Non-Equilibrium Thermodynamics (CNET) based on a contact
structure in differential geometry. First a non-equilibrium state space is introduced as the third key element besides the first and second law of

Ionization equilibrium and radiation losses of molybdenum in a high temperature plasma

International Nuclear Information System (INIS)

1976-11-01

The ionization equilibrium and the associated radiation losses of molybdenum have been calculated as a function of the electron temperature. In the 1-2keV range the computed fractional abundances are supported by experimental facts obtained in T.F.R. Tokamak plasmas

Non-Equilibrium Properties from Equilibrium Free Energy Calculations

Science.gov (United States)

Pohorille, Andrew; Wilson, Michael A.

2012-01-01

Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

Fragmentation function in non-equilibrium QCD using closed-time path integral formalism

International Nuclear Information System (INIS)

Nayak, Gouranga C.

2009-01-01

In this paper we implement the Schwinger-Keldysh closed-time path integral formalism in non-equilibrium QCD in accordance to the definition of the Collins-Soper fragmentation function. We consider a high-p T parton in QCD medium at initial time τ 0 with an arbitrary non-equilibrium (non-isotropic) distribution function f(vector (p)) fragmenting to a hadron. We formulate the parton-to-hadron fragmentation function in non-equilibrium QCD in the light-cone quantization formalism. It may be possible to include final-state interactions with the medium via a modification of the Wilson lines in this definition of the non-equilibrium fragmentation function. This may be relevant to the study of hadron production from a quark-gluon plasma at RHIC and LHC. (orig.)

Non-equilibrium dynamics of open systems and fluctuation-dissipation theorems

Czech Academy of Sciences Publication Activity Database

Špička, Václav; Velický, B.; Kalvová, Anděla

2017-01-01

Roč. 65, 6-8 (2017), s. 1-23, č. článku 1700032. ISSN 0015-8208 Institutional support: RVO:68378271 Keywords : non-equilibrium * fluctuation-dissipation theorems * non-equilibrium Greens function * transient and steady state magnetic current * molecular bridge Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics ( physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 2.434, year: 2016

A Tightly Coupled Non-Equilibrium Magneto-Hydrodynamic Model for Inductively Coupled RF Plasmas

Science.gov (United States)

2016-02-29

development a tightly coupled magneto-hydrodynamic model for Inductively Coupled Radio- Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE...for Inductively Coupled Radio-Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State...Inductively Coupled Plasma (ICP) torches have wide range of possible applications which include deposition of metal coatings, synthesis of ultra-fine powders

Non-equilibrium dynamics and floral trait interactions shape extant angiosperm diversity.

Science.gov (United States)

O'Meara, Brian C; Smith, Stacey D; Armbruster, W Scott; Harder, Lawrence D; Hardy, Christopher R; Hileman, Lena C; Hufford, Larry; Litt, Amy; Magallón, Susana; Smith, Stephen A; Stevens, Peter F; Fenster, Charles B; Diggle, Pamela K

2016-05-11

Why are some traits and trait combinations exceptionally common across the tree of life, whereas others are vanishingly rare? The distribution of trait diversity across a clade at any time depends on the ancestral state of the clade, the rate at which new phenotypes evolve, the differences in speciation and extinction rates across lineages, and whether an equilibrium has been reached. Here we examine the role of transition rates, differential diversification (speciation minus extinction) and non-equilibrium dynamics on the evolutionary history of angiosperms, a clade well known for the abundance of some trait combinations and the rarity of others. Our analysis reveals that three character states (corolla present, bilateral symmetry, reduced stamen number) act synergistically as a key innovation, doubling diversification rates for lineages in which this combination occurs. However, this combination is currently less common than predicted at equilibrium because the individual characters evolve infrequently. Simulations suggest that angiosperms will remain far from the equilibrium frequencies of character states well into the future. Such non-equilibrium dynamics may be common when major innovations evolve rarely, allowing lineages with ancestral forms to persist, and even outnumber those with diversification-enhancing states, for tens of millions of years. © 2016 The Author(s).

A second perspective on the Amann–Schmiedl–Seifert criterion for non-equilibrium in a three-state system

International Nuclear Information System (INIS)

Jia, Chen; Chen, Yong

2015-01-01

In the work of Amann, Schmiedl and Seifert (2010 J. Chem. Phys. 132 041102), the authors derived a sufficient criterion to identify a non-equilibrium steady state (NESS) in a three-state Markov system based on the coarse-grained information of two-state trajectories. In this paper, we present a mathematical derivation and provide a probabilistic interpretation of the Amann–Schmiedl–Seifert (ASS) criterion. Moreover, the ASS criterion is compared with some other criterions for a NESS. (paper)

Continuum model of non-equilibrium solvation and solvent effect on ultra-fast processes

International Nuclear Information System (INIS)

Li Xiangyuan; Fu Kexiang; Zhu Quan

2006-01-01

In the past 50 years, non-equilibrium solvation theory for ultra-fast processes such as electron transfer and light absorption/emission has attracted particular interest. A great deal of research efforts was made in this area and various models which give reasonable qualitative descriptions for such as solvent reorganization energy in electron transfer and spectral shift in solution, were developed within the framework of continuous medium theory. In a series of publications by the authors, we clarified that the expression of the non-equilibrium electrostatic free energy that is at the dominant position of non-equilibrium solvation and serves as the basis of various models, however, was incorrectly formulated. In this work, the authors argue that reversible charging work integration was inappropriately applied in the past to an irreversible path linking the equilibrium or the non-equilibrium state. Because the step from the equilibrium state to the nonequilibrium state is factually thermodynamically irreversible, the conventional expression for non-equilibrium free energy that was deduced in different ways is unreasonable. Here the authors derive the non-equilibrium free energy to a quite different form according to Jackson integral formula. Such a difference throws doubts to the models including the famous Marcus two-sphere model for solvent reorganization energy of electron transfer and the Lippert-Mataga equation for spectral shift. By introducing the concept of 'spring energy' arising from medium polarizations, the energy constitution of the non-equilibrium state is highlighted. For a solute-solvent system, the authors separate the total electrostatic energy into different components: the self-energies of solute charge and polarized charge, the interaction energy between them and the 'spring energy' of the solvent polarization. With detailed reasoning and derivation, our formula for non-equilibrium free energy can be reached through different ways. Based on the

Forces and energy dissipation in inhomogeneous non-equilibrium superconductors

International Nuclear Information System (INIS)

Poluehktov, Yu.M.; Slezov, V.V.

1987-01-01

The phenomenological theory of volume forces and dissipation processes in inhomogeneous non-equilibrium superconductors near temperature transition from the normal to superconducting state is constructed. The approach is based on application of dynamic equations of superconductivity formulated on the basis of the Lagrangian formalism. These equations are generalized the Ginzburg-Landau theory in the nonstationary non-equilibrium case for ''foul'' superconductors. The value estimations of volume forces arising in inhomogeneities during relaxation of an order parameter and when the electrical field is penetrated into the superconductor, are given

Effect of degree of order of silicon dioxide on localization processes of non-equilibrium charge carriers under the influence of gamma-radiation

CERN Document Server

Garibov, A A; Agaev, T N

1999-01-01

The effect of the degree of order of SiO sub 2 on the localization process of non-equilibrium charge carriers (NCC) when exposed to gamma-quanta at 77 K has been investigated. It has been found that with decreasing SiO sub 2 structure degree of order, a localization probability of NCC increases. A contribution of surface defect states in SiO sub 2 to localization, migration and recombination annihilation processes of NCC induced by ionizing radiation has been determined.

Electron equilibrium for parallel plate ionization chambers in gamma radiation fields

International Nuclear Information System (INIS)

Caldas, L.; Albuquerque, M. da P.P.

1989-08-01

Parallel plate ionization chambers, designed and constructed for use in low energy X-radiation fields, were tested in gamma radiation beams ( 6 Co and 137 Cs) of two different Calibration Laboratories, in order to study the electron equilibrium occurrence and to verify the possibility of their use for the detection of the kind of radiation too. (author) [pt

"Non-equilibrium" block copolymer micelles with glassy cores: a predictive approach based on theory of equilibrium micelles.

Science.gov (United States)

Nagarajan, Ramanathan

2015-07-01

Micelles generated in water from most amphiphilic block copolymers are widely recognized to be non-equilibrium structures. Typically, the micelles are prepared by a kinetic process, first allowing molecular scale dissolution of the block copolymer in a common solvent that likes both the blocks and then gradually replacing the common solvent by water to promote the hydrophobic blocks to aggregate and create the micelles. The non-equilibrium nature of the micelle originates from the fact that dynamic exchange between the block copolymer molecules in the micelle and the singly dispersed block copolymer molecules in water is suppressed, because of the glassy nature of the core forming polymer block and/or its very large hydrophobicity. Although most amphiphilic block copolymers generate such non-equilibrium micelles, no theoretical approach to a priori predict the micelle characteristics currently exists. In this work, we propose a predictive approach for non-equilibrium micelles with glassy cores by applying the equilibrium theory of micelles in two steps. In the first, we calculate the properties of micelles formed in the mixed solvent while true equilibrium prevails, until the micelle core becomes glassy. In the second step, we freeze the micelle aggregation number at this glassy state and calculate the corona dimension from the equilibrium theory of micelles. The condition when the micelle core becomes glassy is independently determined from a statistical thermodynamic treatment of diluent effect on polymer glass transition temperature. The predictions based on this "non-equilibrium" model compare reasonably well with experimental data for polystyrene-polyethylene oxide diblock copolymer, which is the most extensively studied system in the literature. In contrast, the application of the equilibrium model to describe such a system significantly overpredicts the micelle core and corona dimensions and the aggregation number. The non-equilibrium model suggests ways to

Non-equilibrium coherence dynamics in one-dimensional Bose gases

DEFF Research Database (Denmark)

Hofferberth, S.; Lesanovsky, Igor; Fischer, B.

2007-01-01

Low-dimensional systems provide beautiful examples of many-body quantum physics. For one-dimensional (1D) systems, the Luttinger liquid approach provides insight into universal properties. Much is known of the equilibrium state, both in the weakly and strongly interacting regimes. However......, the coherence factor is observed to approach a non-zero equilibrium value, as predicted by a Bogoliubov approach. This coupled-system decay to finite coherence is the matter wave equivalent of phase-locking two lasers by injection. The non-equilibrium dynamics of superfluids has an important role in a wide...... range of physical systems, such as superconductors, quantum Hall systems, superfluid helium and spin systems. Our experiments studying coherence dynamics show that 1D Bose gases are ideally suited for investigating this class of phenomena....

Non-equilibrium coherence dynamics in one-dimensional Bose gases.

Science.gov (United States)

Hofferberth, S; Lesanovsky, I; Fischer, B; Schumm, T; Schmiedmayer, J

2007-09-20

Low-dimensional systems provide beautiful examples of many-body quantum physics. For one-dimensional (1D) systems, the Luttinger liquid approach provides insight into universal properties. Much is known of the equilibrium state, both in the weakly and strongly interacting regimes. However, it remains a challenge to probe the dynamics by which this equilibrium state is reached. Here we present a direct experimental study of the coherence dynamics in both isolated and coupled degenerate 1D Bose gases. Dynamic splitting is used to create two 1D systems in a phase coherent state. The time evolution of the coherence is revealed through local phase shifts of the subsequently observed interference patterns. Completely isolated 1D Bose gases are observed to exhibit universal sub-exponential coherence decay, in excellent agreement with recent predictions. For two coupled 1D Bose gases, the coherence factor is observed to approach a non-zero equilibrium value, as predicted by a Bogoliubov approach. This coupled-system decay to finite coherence is the matter wave equivalent of phase-locking two lasers by injection. The non-equilibrium dynamics of superfluids has an important role in a wide range of physical systems, such as superconductors, quantum Hall systems, superfluid helium and spin systems. Our experiments studying coherence dynamics show that 1D Bose gases are ideally suited for investigating this class of phenomena.

What Can Reinforcement Learning Teach Us About Non-Equilibrium Quantum Dynamics

Science.gov (United States)

Bukov, Marin; Day, Alexandre; Sels, Dries; Weinberg, Phillip; Polkovnikov, Anatoli; Mehta, Pankaj

Equilibrium thermodynamics and statistical physics are the building blocks of modern science and technology. Yet, our understanding of thermodynamic processes away from equilibrium is largely missing. In this talk, I will reveal the potential of what artificial intelligence can teach us about the complex behaviour of non-equilibrium systems. Specifically, I will discuss the problem of finding optimal drive protocols to prepare a desired target state in quantum mechanical systems by applying ideas from Reinforcement Learning [one can think of Reinforcement Learning as the study of how an agent (e.g. a robot) can learn and perfect a given policy through interactions with an environment.]. The driving protocols learnt by our agent suggest that the non-equilibrium world features possibilities easily defying intuition based on equilibrium physics.

Electron-Impact Excitation Cross Sections for Modeling Non-Equilibrium Gas

Science.gov (United States)

Huo, Winifred M.; Liu, Yen; Panesi, Marco; Munafo, Alessandro; Wray, Alan; Carbon, Duane F.

2015-01-01

In order to provide a database for modeling hypersonic entry in a partially ionized gas under non-equilibrium, the electron-impact excitation cross sections of atoms have been calculated using perturbation theory. The energy levels covered in the calculation are retrieved from the level list in the HyperRad code. The downstream flow-field is determined by solving a set of continuity equations for each component. The individual structure of each energy level is included. These equations are then complemented by the Euler system of equations. Finally, the radiation field is modeled by solving the radiative transfer equation.

Evaluation of spectroscopic modeling for iron ions and study on non-equilibrium ionization phenomena for solar and LHD plasmas

International Nuclear Information System (INIS)

Watanabe, Tetsuya; Hara, Hirohisa; Yamamoto, Norimasa; Kato, Daiji; Sakaue, Hiroyuki A.; Murakami, Izumi

2013-01-01

Spectroscopic observations of EUV emission lines in the transition region (TR) and the corona provide unique information on physical conditions in the outer atmosphere of the Sun. The EUV Imaging Spectrometer (EIS) on board the Hinode satellite is capable of observing, for the first time in EUV, spectra and monochromatic images of plasmas in the solar TR and corona; these plasmas could possibly be in non-ionization-equilibrium conditions. EIS observes over two-wavelength bands of 170 - 210 Å and 250 - 290 Å, with typical time-resolutions of 1 - 10 seconds. Iron line emissions emerging from these wavelengths reveal that dynamic plasma accelerations and heating take place in the solar atmosphere. On the other hand, the tracer-encapsulated-pellet (TESPEL) experiments provide spectral information of EUV emission lines from iron ions produced in the Large Helical Device (LHD). Relatively cool plasmas with electron temperatures similar to those of the solar corona can be generated by controlling the neutral beam injector (NBI) system. A time-dependent collisional radiative (CR) model for elemental iron is developed as a common tool to diagnose temperatures and densities of those plasmas in the Sun and in LHD; no systematic model yet exists for iron ions in the L- and M-shell ionization stages, which are very important for coronal plasma diagnostics. Adopting the best available theoretical calculations, as well as generating the experimental data, we improve the atomic parameters of highly charged iron ions, and these results are used to extract more accurate diagnostic information out of the EIS spectra. (author)

Non-equilibrium properties of Josephson critical current in Nb-based three terminal superconducting tunnel devices

International Nuclear Information System (INIS)

Ammendola, G.; Parlato, L.; Peluso, G.; Pepe, G.

1998-01-01

Tunnel quasi-particle injection into a superconducting film provides useful information on the non-equilibrium state inside the perturbed superconductor as well as on the potential application to electronic devices. Three terminal injector-detector superconducting devices have a long history in non-equilibrium superconductivity. In the recent past non-equilibrium phenomena have attracted again considerable attention because of many superconducting based detectors involve processes substantially non-equilibrium in nature. The possibility of using a stacked double tunnel junction to study the influence of non-equilibrium superconductivity on the Josephson critical current is now considered. An experimental study of the effect of quasi-particle injection on the Josephson current both in steady-state and pulsed experiments down to T=1.2 K is presented using 3 terminal Nb-based stacked double tunnel devices. The feasibility of a new class of particle detectors based on the direct measurement of the change in the Josephson current following the absorption of a X-ray quantum is also discussed in terms of non-equilibrium theories. (orig.)

Fluctuation relations in non-equilibrium stationary states of Ising models

Energy Technology Data Exchange (ETDEWEB)

Piscitelli, A; Gonnella, G [Dipartimento di Fisica, Universita di Bari and Istituto Nazionale di Fisica Nucleare, Sezione di Bari, via Amendola 173, 70126 Bari (Italy); Corberi, F [Dipartimento di Matematica ed Informatica, via Ponte don Melillo, Universita di Salerno, 84084 Fisciano (Italy); Pelizzola, A [Dipartimento di Fisica and Istituto Nazionale di Fisica Nucleare, Sezione di Torino, and CNISM, Politecnico di Torino, c. Duca degli Abruzzi 24, 10129 Torino (Italy)

2009-01-15

Fluctuation relations for the entropy production in non-equilibrium stationary states of Ising models are investigated by means of Monte Carlo simulations. Systems in contact with heat baths at two different temperatures or subject to external driving will be studied. In the first case, considering different kinetic rules and couplings with the baths, the behaviors of the probability distributions of the heat exchanged in time {tau} with the thermostats, both in the disordered phase and in the low temperature phase, are discussed. The fluctuation relation is always followed in the large {tau} limit and deviations from linear response theory are observed. Finite {tau} corrections are shown to obey a scaling behavior. In the other case the system is in contact with a single heat bath, but work is done by shearing it. Also for this system, using the statistics collected for the mechanical work we show the validity of the fluctuation relation and the preasymptotic corrections behave analogously to those for the case with two baths.

The classical equation of state of fully ionized plasmas

Science.gov (United States)

Eisa, Dalia Ahmed

2011-03-01

The aim of this paper is to calculate the analytical form of the equation of state until the third virial coefficient of a classical system interacting via an effective potential of fully Ionized Plasmas. The excess osmotic pressure is represented in the forms of a convergent series expansions in terms of the plasma Parameter μ _{ab} = {{{e_a e_b χ } over {DKT}}}, where χ2 is the square of the inverse Debye radius. We consider only the thermal equilibrium plasma.

Non-equilibrium dog-flea model

Science.gov (United States)

Ackerson, Bruce J.

2017-11-01

We develop the open dog-flea model to serve as a check of proposed non-equilibrium theories of statistical mechanics. The model is developed in detail. Then it is applied to four recent models for non-equilibrium statistical mechanics. Comparison of the dog-flea solution with these different models allows checking claims and giving a concrete example of the theoretical models.

To the probe theory in a highly-ionized high-pressure plasma

International Nuclear Information System (INIS)

Baksht, F.G.; Rybakov, A.B.

1997-01-01

The probe theory in highly-ionized high-pressure plasma is presented. The situation typical for high-pressure plasma, when the plasma in the main part of the near-probe layer is in the state of local ionization equilibrium with general temperature for electrons and heavy particles. Possibility is discussed for determining the parameters of non-perturbed plasma through analysis of the probe characteristic at place of ion saturation, transition area and by the probe floating potential. The experiments were carried out by example of highly-ionized xenon plasma under atmospheric pressure

Non-ionizing radiation protection training manual for radiation control. Lectures, demonstrations, laboratories and tours on the course on non-ionizing radiations. Final report

International Nuclear Information System (INIS)

Morgan, K.Z.; Burkhart, R.L.

1976-03-01

In late 1974, consultation with the National Training Coordination Committee of the Conference of Radiation Control Program Directors determined that State personnel needed training in order to fulfill their responsibility with respect to the growing number of non-ionizing radiation sources. A contract was awarded to the Georgia Institute of Technology to develop materials for a training program on non-ionizing radiation protection, pilot test these materials in a two-week presentation for Federal, State, and local government health personnel, and revise the materials as needed to produce a self-contained training manual. The materials were pilot-tested in March 1976, and then revised to provide the final manual. The course consists of three parts (1) general discussions of basic principles, properties, propagation and behavior of all types of non-ionizing radiations (2) an indepth study of all types and applications of coherent (laser) radiations, and (3) a study of ultraviolet, infrared, microwave, r.f., longwave and mechanical radiations as they may be used to have applications in hospitals and other medical institutions

Non-equilibrium versus equilibrium emission of complex fragments from hot nuclei

International Nuclear Information System (INIS)

Viola, V.E.; Kwiatkowski, K.; Yennello, S.; Fields, D.E.

1989-01-01

The relative contributions of equilibrium and non-equilibrium mechanisms for intermediate-mass fragment emission have been deduced for Z=3-14 fragments formed in 3 He- and 14 N-induced reactions on Ag and Au targets. Complete inclusive excitation function measurements have been performed for 3 He projectiles from E/A=67 to 1,200 MeV and for 14 N from E/A=20 to 50 MeV. The data are consistent with a picture in which equilibrated emission is important at the lowest energies, but with increasing bombarding energy the cross sections are increasingly dominated by non-equilibrium processes. Non-equilibrium emission is also shown to be favored for light fragments relative to heavy fragments. These results are supported by coincidence studies of intermediate-mass fragments tagged by linear momentum transfer measurements

Non-Ionizing Radiation Used in Microwave Ovens

Science.gov (United States)

... Non-Ionizing Radiation Used in Microwave Ovens Non-Ionizing Radiation Used in Microwave Ovens Explore the interactive, virtual ... can do Where to learn more About Non-Ionizing Radiation Used in Microwave Ovens Microwave Oven. Microwave ovens ...

Energy flow in non-equilibrium conformal field theory

Science.gov (United States)

Bernard, Denis; Doyon, Benjamin

2012-09-01

We study the energy current and its fluctuations in quantum gapless 1d systems far from equilibrium modeled by conformal field theory, where two separated halves are prepared at distinct temperatures and glued together at a point contact. We prove that these systems converge towards steady states, and give a general description of such non-equilibrium steady states in terms of quantum field theory data. We compute the large deviation function, also called the full counting statistics, of energy transfer through the contact. These are universal and satisfy fluctuation relations. We provide a simple representation of these quantum fluctuations in terms of classical Poisson processes whose intensities are proportional to Boltzmann weights.

A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas

International Nuclear Information System (INIS)

Munafò, A.; Alfuhaid, S. A.; Panesi, M.; Cambier, J.-L.

2015-01-01

The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled system of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients

Non-equilibrium effects in the plasmas

International Nuclear Information System (INIS)

Einfeld, D.

1975-01-01

Radial dependences of non-equilibrium effects of a He plasma were studied in a wall-stabilized short-time discharge. The electron density (nsub(e) = 2.5 x 10 22 m -3 ), the electron temperature and the equilibrium shift were determined by calculations of the continuum beam density and the beam densities of one He-I and one He-II line, respectively. In the discharge axis, the overpopulation factors of the ground state of He-I and He-II are about 75. As the distance to the axis increases, they increase for He-I and decrease for He-II. Except for the usual errors of measurement, the overpopulation factors found here correspond to those calculated from the balance equations (Drawin). (orig./AK) [de

A Novel Derivation of the Time Evolution of the Entropy for Macroscopic Systems in Thermal Non-Equilibrium

Directory of Open Access Journals (Sweden)

Enrico Sciubba

2017-11-01

Full Text Available The paper discusses how the two thermodynamic properties, energy (U and exergy (E, can be used to solve the problem of quantifying the entropy of non-equilibrium systems. Both energy and exergy are a priori concepts, and their formal dependence on thermodynamic state variables at equilibrium is known. Exploiting the results of a previous study, we first calculate the non-equilibrium exergy En-eq can be calculated for an arbitrary temperature distributions across a macroscopic body with an accuracy that depends only on the available information about the initial distribution: the analytical results confirm that En-eq exponentially relaxes to its equilibrium value. Using the Gyftopoulos-Beretta formalism, a non-equilibrium entropy Sn-eq(x,t is then derived from En-eq(x,t and U(x,t. It is finally shown that the non-equilibrium entropy generation between two states is always larger than its equilibrium (herein referred to as “classical” counterpart. We conclude that every iso-energetic non-equilibrium state corresponds to an infinite set of non-equivalent states that can be ranked in terms of increasing entropy. Therefore, each point of the Gibbs plane corresponds therefore to a set of possible initial distributions: the non-equilibrium entropy is a multi-valued function that depends on the initial mass and energy distribution within the body. Though the concept cannot be directly extended to microscopic systems, it is argued that the present formulation is compatible with a possible reinterpretation of the existing non-equilibrium formulations, namely those of Tsallis and Grmela, and answers at least in part one of the objections set forth by Lieb and Yngvason. A systematic application of this paradigm is very convenient from a theoretical point of view and may be beneficial for meaningful future applications in the fields of nano-engineering and biological sciences.

Non-equilibrium synergistic effects in atmospheric pressure plasmas.

Science.gov (United States)

Guo, Heng; Zhang, Xiao-Ning; Chen, Jian; Li, He-Ping; Ostrikov, Kostya Ken

2018-03-19

Non-equilibrium is one of the important features of an atmospheric gas discharge plasma. It involves complicated physical-chemical processes and plays a key role in various actual plasma processing. In this report, a novel complete non-equilibrium model is developed to reveal the non-equilibrium synergistic effects for the atmospheric-pressure low-temperature plasmas (AP-LTPs). It combines a thermal-chemical non-equilibrium fluid model for the quasi-neutral plasma region and a simplified sheath model for the electrode sheath region. The free-burning argon arc is selected as a model system because both the electrical-thermal-chemical equilibrium and non-equilibrium regions are involved simultaneously in this arc plasma system. The modeling results indicate for the first time that it is the strong and synergistic interactions among the mass, momentum and energy transfer processes that determine the self-consistent non-equilibrium characteristics of the AP-LTPs. An energy transfer process related to the non-uniform spatial distributions of the electron-to-heavy-particle temperature ratio has also been discovered for the first time. It has a significant influence for self-consistently predicting the transition region between the "hot" and "cold" equilibrium regions of an AP-LTP system. The modeling results would provide an instructive guidance for predicting and possibly controlling the non-equilibrium particle-energy transportation process in various AP-LTPs in future.

Non-Equilibrium Thermodynamics of Self-Replicating Protocells

DEFF Research Database (Denmark)

Fellermann, Harold; Corominas-Murtra, Bernat; Hansen, Per Lyngs

2018-01-01

We provide a non-equilibrium thermodynamic description of the life-cycle of a droplet based, chemically feasible, system of protocells. By coupling the protocells metabolic kinetics with its thermodynamics, we demonstrate how the system can be driven out of equilibrium to ensure protocell growth...... and replication. This coupling allows us to derive the equations of evolution and to rigorously demonstrate how growth and replication life-cycle can be understood as a non-equilibrium thermodynamic cycle. The process does not appeal to genetic information or inheritance, and is based only on non......-equilibrium physics considerations. Our non-equilibrium thermodynamic description of simple, yet realistic, processes of protocell growth and replication, represents an advance in our physical understanding of a central biological phenomenon both in connection to the origin of life and for modern biology....

Elemental composition and ionization state of the solar atmosphere and solar wind

International Nuclear Information System (INIS)

Joselyn, J.A.C.

1978-01-01

Abundance measurements have always proved useful in generating and refining astrophysical theories. Some of the classical problems of astrophysics involve determining the relative abundances of elements in the atmosphere of a star from observations of its line spectrum, and then synthesizing the physical processes which would produce such abundances. Theories of the formation of the solar system are critically tested by their ability to explain observed abundances, and, elemental abundances can serve as tracers, helping to determine the origin and transport of ions. Since the solar wind originates at the sun, it can act as a diagnostic probe of solar conditions. In particular, measurements of the composition of the solar wind should be related to the solar composition. And, assuming ionization equilibrium, measurements of the relative abundances of the ionization states in the solar wind should infer coronal temperatures and temperature gradients. However, most spherically symmetric models of the solar wind are unable to explain the relationship between the composition estimated from solar observations and as measured at 1 AU; and, recent observations of significant flow speeds in the transition region raise doubts about the validity of the assumption of ionization equilibrium

Experimental investigation of supercurrent enhancement in S-N-S junctions by non-equilibrium injection into supercurrent-carrying bound Andreev states

DEFF Research Database (Denmark)

Kutchinsky, Jonatan; Taboryski, Rafael Jozef; Sørensen, C B

2001-01-01

We report measurements on three-terminal superconductor-semiconductor-superconductor injection devices demonstrating enhancement of the supercurrent by injection from a superconducting injector electrode. Two other electrodes were used to form the detector junction. Applying a small voltage...... of enhancement of the supercurrent by non-equilibrium injection into bound supercurrent-carrying Andreev states. The effect persists to temperatures where the equilibrium supercurrent has vanished. (C) 2001 Elsevier Science B.V. All rights reserved....

Non-linear neutron star oscillations viewed as deviations from an equilibrium state

International Nuclear Information System (INIS)

Sperhake, U

2002-01-01

A numerical technique is presented which facilitates the evolution of non-linear neutron star oscillations with a high accuracy essentially independent of the oscillation amplitude. We apply this technique to radial neutron star oscillations in a Lagrangian formulation and demonstrate the superior performance of the new scheme compared with 'conventional' techniques. The key feature of our approach is to describe the evolution in terms of deviations from an equilibrium configuration. In contrast to standard perturbation analysis we keep all higher order terms in the evolution equations and thus obtain a fully non-linear description. The advantage of our scheme lies in the elimination of background terms from the equations and the associated numerical errors. The improvements thus achieved will be particularly significant in the study of mildly non-linear effects where the amplitude of the dynamic signal is small compared with the equilibrium values but large enough to warrant non-linear effects. We apply the new technique to the study of non-linear coupling of Eigenmodes and non-linear effects in the oscillations of marginally stable neutron stars. We find non-linear effects in low amplitude oscillations to be particularly pronounced in the range of modes with vanishing frequency which typically mark the onset of instability. (author)

Elements of non-equilibrium (ℎ, k)-dynamics at zero and finite temperatures

International Nuclear Information System (INIS)

Golubeva, O.N.; Sukhanov, A.D.

2011-01-01

We suggest a method which allows developing some elements of non-equilibrium (ℎ, k)-dynamics without use of Schroedinger equation. It is based on the generalization pf Fokker-Planck and Hamilton-Jacobi equations. Sequential considering of stochastic influence of vacuum is realized in the quantum heat bath model. We show that at the presence of quantum-thermal diffusion non-equilibrium wave functions describe the process of nearing to generalized state of thermal equilibrium at zero and finite temperatures. They can be used as a ground for universal description of transport phenomena

A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels

Science.gov (United States)

Li, Hua; Wang, Xiaogui; Yan, Guoping; Lam, K. Y.; Cheng, Sixue; Zou, Tao; Zhuo, Renxi

2005-03-01

In this paper, a novel multiphysic mathematical model is developed for simulation of swelling equilibrium of ionized temperature sensitive hydrogels with the volume phase transition, and it is termed the multi-effect-coupling thermal-stimulus (MECtherm) model. This model consists of the steady-state Nernst-Planck equation, Poisson equation and swelling equilibrium governing equation based on the Flory's mean field theory, in which two types of polymer-solvent interaction parameters, as the functions of temperature and polymer-network volume fraction, are specified with or without consideration of the hydrogen bond interaction. In order to examine the MECtherm model consisting of nonlinear partial differential equations, a meshless Hermite-Cloud method is used for numerical solution of one-dimensional swelling equilibrium of thermal-stimulus responsive hydrogels immersed in a bathing solution. The computed results are in very good agreements with experimental data for the variation of volume swelling ratio with temperature. The influences of the salt concentration and initial fixed-charge density are discussed in detail on the variations of volume swelling ratio of hydrogels, mobile ion concentrations and electric potential of both interior hydrogels and exterior bathing solution.

Isospin equilibrium and non-equilibrium in heavy-ion collisions at intermediate energies

International Nuclear Information System (INIS)

Chen Liewen; Ge Lingxiao; Zhang Xiaodong; Zhang Fengshou

1997-01-01

The equilibrium and non-equilibrium of the isospin degree of freedom are studied in terms of an isospin-dependent QMD model, which includes isospin-dependent symmetry energy, Coulomb energy, N-N cross sections and Pauli blocking. It is shown that there exists a transition from the isospin equilibrium to non-equilibrium as the incident energy from below to above a threshold energy in central, asymmetric heavy-ion collisions. Meanwhile, it is found that the phenomenon results from the co-existence and competition of different reaction mechanisms, namely, the isospin degree of freedom reaches an equilibrium if the incomplete fusion (ICF) component is dominant and does not reach equilibrium if the fragmentation component is dominant. Moreover, it is also found that the isospin-dependent N-N cross sections and symmetry energy are crucial for the equilibrium of the isospin degree of freedom in heavy-ion collisions around the Fermi energy. (author)

Near-Nash equilibrium strategies for LQ differential games with inaccurate state information

Directory of Open Access Journals (Sweden)

2006-01-01

Full Text Available ε -Nash equilibrium or “near equilibrium” for a linear quadratic cost game is considered. Due to inaccurate state information, the standard solution for feedback Nash equilibrium cannot be applied. Instead, an estimation of the players' states is substituted into the optimal control strategies equation obtained for perfect state information. The magnitude of the ε in the ε -Nash equilibrium will depend on the quality of the estimation process. To illustrate this approach, a Luenberger-type observer is used in the numerical example to generate the players' state estimates in a two-player non-zero-sum LQ differential game.

A model for non-equilibrium, non-homogeneous two-phase critical flow

International Nuclear Information System (INIS)

Bassel, Wageeh Sidrak; Ting, Daniel Kao Sun

1999-01-01

Critical two phase flow is a very important phenomena in nuclear reactor technology for the analysis of loss of coolant accident. Several recent papers, Lee and Shrock (1990), Dagan (1993) and Downar (1996) , among others, treat the phenomena using complex models which require heuristic parameters such as relaxation constants or interfacial transfer models. In this paper a mathematical model for one dimensional non equilibrium and non homogeneous two phase flow in constant area duct is developed. The model is constituted of three conservation equations type mass ,momentum and energy. Two important variables are defined in the model: equilibrium constant in the energy equation and the impulse function in the momentum equation. In the energy equation, the enthalpy of the liquid phase is determined by a linear interpolation function between the liquid phase enthalpy at inlet condition and the saturated liquid enthalpy at local pressure. The interpolation coefficient is the equilibrium constant. The momentum equation is expressed in terms of the impulse function. It is considered that there is slip between the liquid and vapor phases, the liquid phase is in metastable state and the vapor phase is in saturated stable state. The model is not heuristic in nature and does not require complex interface transfer models. It is proved numerically that for the critical condition the partial derivative of two phase pressure drop with respect to the local pressure or to phase velocity must be zero.This criteria is demonstrated by numerical examples. The experimental work of Fauske (1962) and Jeandey (1982) were analyzed resulting in estimated numerical values for important parameters like slip ratio, equilibrium constant and two phase frictional drop. (author)

Information theory explanation of the fluctuation theorem, maximum entropy production and self-organized criticality in non-equilibrium stationary states

CERN Document Server

Dewar, R

2003-01-01

Jaynes' information theory formalism of statistical mechanics is applied to the stationary states of open, non-equilibrium systems. First, it is shown that the probability distribution p subGAMMA of the underlying microscopic phase space trajectories GAMMA over a time interval of length tau satisfies p subGAMMA propor to exp(tau sigma subGAMMA/2k sub B) where sigma subGAMMA is the time-averaged rate of entropy production of GAMMA. Three consequences of this result are then derived: (1) the fluctuation theorem, which describes the exponentially declining probability of deviations from the second law of thermodynamics as tau -> infinity; (2) the selection principle of maximum entropy production for non-equilibrium stationary states, empirical support for which has been found in studies of phenomena as diverse as the Earth's climate and crystal growth morphology; and (3) the emergence of self-organized criticality for flux-driven systems in the slowly-driven limit. The explanation of these results on general inf...

Analysis of non-equilibrium phenomena in inductively coupled plasma generators

Energy Technology Data Exchange (ETDEWEB)

Zhang, W.; Panesi, M., E-mail: mpanesi@illinois.edu [University of Illinois at Urbana-Champaign, Urbana, Illinois 61822 (United States); Lani, A. [Von Karman Institute for Fluid Dynamics, Rhode-Saint-Genèse (Belgium)

2016-07-15

This work addresses the modeling of non-equilibrium phenomena in inductively coupled plasma discharges. In the proposed computational model, the electromagnetic induction equation is solved together with the set of Navier-Stokes equations in order to compute the electromagnetic and flow fields, accounting for their mutual interaction. Semi-classical statistical thermodynamics is used to determine the plasma thermodynamic properties, while transport properties are obtained from kinetic principles, with the method of Chapman and Enskog. Particle ambipolar diffusive fluxes are found by solving the Stefan-Maxwell equations with a simple iterative method. Two physico-mathematical formulations are used to model the chemical reaction processes: (1) A Local Thermodynamics Equilibrium (LTE) formulation and (2) a thermo-chemical non-equilibrium (TCNEQ) formulation. In the TCNEQ model, thermal non-equilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules is accounted for. The electronic states of the chemical species are assumed in equilibrium with the vibrational temperature, whereas the rotational energy mode is assumed to be equilibrated with translation. Three different physical models are used to account for the coupling of chemistry and energy transfer processes. Numerical simulations obtained with the LTE and TCNEQ formulations are used to characterize the extent of non-equilibrium of the flow inside the Plasmatron facility at the von Karman Institute. Each model was tested using different kinetic mechanisms to assess the sensitivity of the results to variations in the reaction parameters. A comparison of temperatures and composition profiles at the outlet of the torch demonstrates that the flow is in non-equilibrium for operating conditions characterized by pressures below 30 000 Pa, frequency 0.37 MHz, input power 80 kW, and mass flow 8 g/s.

Effects of non-LTE multiplet dynamics on lumped-state modelling in moderate to high atomic number plasmas

International Nuclear Information System (INIS)

Whitney, K G; Dasgupta, A; Davis, J; Coverdale, C A

2007-01-01

Two atomic models of the population dynamics of substates within the n 4 and n = 3 multiplets of nickel-like tungsten and beryllium-like iron, respectively, are described in this paper. The flexible atomic code (FAC) is used to calculate the collisional and radiative couplings and energy levels of the excited states within these ionization stages. These atomic models are then placed within larger principal-quantum-number-based ionization dynamic models of both tungsten and iron plasmas. Collisional-radiative equilibrium calculations are then carried out using these models that demonstrate how the multiplet substates depart from local thermodynamic equilibrium (LTE) as a function of ion density. The effect of these deviations from LTE on the radiative and collisional deexcitation rates of lumped 3s, 3p, 3d, 4s, 4p, 4d and 4f states is then calculated and least-squares fits to the density dependence of these lumped-state rate coefficients are obtained. The calculations show that, with the use of lumped-state models (which are in common use), one can accurately model the L- and M-shell ionization dynamics occurring in present-day Z-pinch experiments only through the addition of these extra, non-LTE-induced, rate coefficient density dependences. However, the derivation and use of low-order polynomial fits to these density dependences makes lumped-state modelling both viable and of value for post-processing analyses

Non-equilibrium modelling of distillation

NARCIS (Netherlands)

Wesselingh, JA; Darton, R

1997-01-01

There are nasty conceptual problems in the classical way of describing distillation columns via equilibrium stages, and efficiencies or HETP's. We can nowadays avoid these problems by simulating the behaviour of a complete column in one go using a non-equilibrium model. Such a model has phase

Non-equilibrium theory of arrested spinodal decomposition

Energy Technology Data Exchange (ETDEWEB)

Olais-Govea, José Manuel; López-Flores, Leticia; Medina-Noyola, Magdaleno [Instituto de Física “Manuel Sandoval Vallarta,” Universidad Autónoma de San Luis Potosí, Álvaro Obregón 64, 78000 San Luis Potosí, SLP (Mexico)

2015-11-07

The non-equilibrium self-consistent generalized Langevin equation theory of irreversible relaxation [P. E. Ramŕez-González and M. Medina-Noyola, Phys. Rev. E 82, 061503 (2010); 82, 061504 (2010)] is applied to the description of the non-equilibrium processes involved in the spinodal decomposition of suddenly and deeply quenched simple liquids. For model liquids with hard-sphere plus attractive (Yukawa or square well) pair potential, the theory predicts that the spinodal curve, besides being the threshold of the thermodynamic stability of homogeneous states, is also the borderline between the regions of ergodic and non-ergodic homogeneous states. It also predicts that the high-density liquid-glass transition line, whose high-temperature limit corresponds to the well-known hard-sphere glass transition, at lower temperature intersects the spinodal curve and continues inside the spinodal region as a glass-glass transition line. Within the region bounded from below by this low-temperature glass-glass transition and from above by the spinodal dynamic arrest line, we can recognize two distinct domains with qualitatively different temperature dependence of various physical properties. We interpret these two domains as corresponding to full gas-liquid phase separation conditions and to the formation of physical gels by arrested spinodal decomposition. The resulting theoretical scenario is consistent with the corresponding experimental observations in a specific colloidal model system.

Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

Energy Technology Data Exchange (ETDEWEB)

Duchemin, Ivan, E-mail: ivan.duchemin@cea.fr [INAC, SP2M/L-Sim, CEA/UJF Cedex 09, 38054 Grenoble (France); Jacquemin, Denis [Laboratoire CEISAM - UMR CNR 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3 (France); Institut Universitaire de France, 1 rue Descartes, 75005 Paris Cedex 5 (France); Blase, Xavier [CNRS, Inst. NÉEL, F-38000 Grenoble (France); Univ. Grenoble Alpes, Inst. NÉEL, F-38000 Grenoble (France)

2016-04-28

We have implemented the polarizable continuum model within the framework of the many-body Green’s function GW formalism for the calculation of electron addition and removal energies in solution. The present formalism includes both ground-state and non-equilibrium polarization effects. In addition, the polarization energies are state-specific, allowing to obtain the bath-induced renormalisation energy of all occupied and virtual energy levels. Our implementation is validated by comparisons with ΔSCF calculations performed at both the density functional theory and coupled-cluster single and double levels for solvated nucleobases. The present study opens the way to GW and Bethe-Salpeter calculations in disordered condensed phases of interest in organic optoelectronics, wet chemistry, and biology.

Chemical data on ionizing and non-ionizing angiographic contrast materials

International Nuclear Information System (INIS)

Bonati, F.

1980-01-01

The cardiovascular effects of ionizing and non-ionizing contrast media are compared in experimental animals and in isolated heart preparations. The following parameters were recorded: peripheric arterial diastolic pressure, heart rate, duration of asystolic period, respiratory rate, contractility of the myocardium (dp/dt, LVSP, Vsub(max), EDV, ESV, SV). The observed changes are mainly due to the higher osmotic activity of the contrast media, as similar alterations were recorded after the injection of hyperosmotic glucose solution. It is concluded that administration of non-ionizing contrast media results in significantly less cardiovascular side effects. (L.E.)

Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics.

Science.gov (United States)

Bose, Amartya; Makri, Nancy

2017-10-21

The flux formulation of reaction rate theory is recast in terms of the expectation value of the reactive flux with an initial condition that corresponds to a non-equilibrium, factorized reactant density. In the common case of slow reactive processes, the non-equilibrium expression reaches the plateau regime only slightly slower than the equilibrium flux form. When the reactants are described by a single quantum state, as in the case of electron transfer reactions, the factorized reactant density describes the true initial condition of the reactive process. In such cases, the time integral of the non-equilibrium flux expression yields the reactant population as a function of time, allowing characterization of the dynamics in cases where there is no clear separation of time scales and thus a plateau regime cannot be identified. The non-equilibrium flux offers a unified approach to the kinetics of slow and fast chemical reactions and is ideally suited to mixed quantum-classical methods.

The new physics of non-equilibrium condensates: insights from classical dynamics

Energy Technology Data Exchange (ETDEWEB)

Eastham, P R [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom)

2007-07-25

We discuss the dynamics of classical Dicke-type models, aiming to clarify the mechanisms by which coherent states could develop in potentially non-equilibrium systems such as semiconductor microcavities. We present simulations of an undamped model which show spontaneous coherent states with persistent oscillations in the magnitude of the order parameter. These states are generalizations of superradiant ringing to the case of inhomogeneous broadening. They correspond to the persistent gap oscillations proposed in fermionic atomic condensates, and arise from a variety of initial conditions. We show that introducing randomness into the couplings can suppress the oscillations, leading to a limiting dynamics with a time-independent order parameter. This demonstrates that non-equilibrium generalizations of polariton condensates can be created even without dissipation. We explain the dynamical origins of the coherence in terms of instabilities of the normal state, and consider how it can additionally develop through scattering and dissipation.

The new physics of non-equilibrium condensates: insights from classical dynamics

International Nuclear Information System (INIS)

Eastham, P R

2007-01-01

We discuss the dynamics of classical Dicke-type models, aiming to clarify the mechanisms by which coherent states could develop in potentially non-equilibrium systems such as semiconductor microcavities. We present simulations of an undamped model which show spontaneous coherent states with persistent oscillations in the magnitude of the order parameter. These states are generalizations of superradiant ringing to the case of inhomogeneous broadening. They correspond to the persistent gap oscillations proposed in fermionic atomic condensates, and arise from a variety of initial conditions. We show that introducing randomness into the couplings can suppress the oscillations, leading to a limiting dynamics with a time-independent order parameter. This demonstrates that non-equilibrium generalizations of polariton condensates can be created even without dissipation. We explain the dynamical origins of the coherence in terms of instabilities of the normal state, and consider how it can additionally develop through scattering and dissipation

Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures.

Science.gov (United States)

Vetterick, Gregory A; Gruber, Jacob; Suri, Pranav K; Baldwin, Jon K; Kirk, Marquis A; Baldo, Pete; Wang, Yong Q; Misra, Amit; Tucker, Garritt J; Taheri, Mitra L

2017-09-25

Many methods used to produce nanocrystalline (NC) materials leave behind non-equilibrium grain boundaries (GBs) containing excess free volume and higher energy than their equilibrium counterparts with identical 5 degrees of freedom. Since non-equilibrium GBs have increased amounts of both strain and free volume, these boundaries may act as more efficient sinks for the excess interstitials and vacancies produced in a material under irradiation as compared to equilibrium GBs. The relative sink strengths of equilibrium and non-equilibrium GBs were explored by comparing the behavior of annealed (equilibrium) and as-deposited (non-equilibrium) NC iron films on irradiation. These results were coupled with atomistic simulations to better reveal the underlying processes occurring on timescales too short to capture using in situ TEM. After irradiation, NC iron with non-equilibrium GBs contains both a smaller number density of defect clusters and a smaller average defect cluster size. Simulations showed that excess free volume contribute to a decreased survival rate of point defects in cascades occurring adjacent to the GB and that these boundaries undergo less dramatic changes in structure upon irradiation. These results suggest that non-equilibrium GBs act as more efficient sinks for defects and could be utilized to create more radiation tolerant materials in future.

Weak Acid Ionization Constants and the Determination of Weak Acid-Weak Base Reaction Equilibrium Constants in the General Chemistry Laboratory

Science.gov (United States)

Nyasulu, Frazier; McMills, Lauren; Barlag, Rebecca

2013-01-01

A laboratory to determine the equilibrium constants of weak acid negative weak base reactions is described. The equilibrium constants of component reactions when multiplied together equal the numerical value of the equilibrium constant of the summative reaction. The component reactions are weak acid ionization reactions, weak base hydrolysis…

Phase diagram and structural evolution of tin/indium (Sn/In) nanosolder particles: from a non-equilibrium state to an equilibrium state.

Science.gov (United States)

Shu, Yang; Ando, Teiichi; Yin, Qiyue; Zhou, Guangwen; Gu, Zhiyong

2017-08-31

A binary system of tin/indium (Sn/In) in the form of nanoparticles was investigated for phase transitions and structural evolution at different temperatures and compositions. The Sn/In nanosolder particles in the composition range of 24-72 wt% In were synthesized by a surfactant-assisted chemical reduction method under ambient conditions. The morphology and microstructure of the as-synthesized nanoparticles were analyzed by scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED) and X-ray diffraction (XRD). HRTEM and SAED identified InSn 4 and In, with some Sn being detected by XRD, but no In 3 Sn was observed. The differential scanning calorimetry (DSC) thermographs of the as-synthesized nanoparticles exhibited an endothermic peak at around 116 °C, which is indicative of the metastable eutectic melting of InSn 4 and In. When the nanosolders were subjected to heat treatment at 50-225 °C, the equilibrium phase In 3 Sn appeared while Sn disappeared. The equilibrium state was effectively attained at 225 °C. A Tammann plot of the DSC data of the as-synthesized nanoparticles indicated that the metastable eutectic composition is about 62% In, while that of the DSC data of the 225 °C heat-treated nanoparticles yielded a eutectic composition of 54% In, which confirmed the attainment of the equilibrium state at 225 °C. The phase boundaries estimated from the DSC data of heat-treated Sn/In nanosolder particles matched well with those in the established Sn-In equilibrium phase diagram. The phase transition behavior of Sn/In nanosolders leads to a new understanding of binary alloy particles at the nanoscale, and provides important information for their low temperature soldering processing and applications.

Simulations of NMR pulse sequences during equilibrium and non-equilibrium chemical exchange

International Nuclear Information System (INIS)

Helgstrand, Magnus; Haerd, Torleif; Allard, Peter

2000-01-01

The McConnell equations combine the differential equations for a simple two-state chemical exchange process with the Bloch differential equations for a classical description of the behavior of nuclear spins in a magnetic field. This equation system provides a useful starting point for the analysis of slow, intermediate and fast chemical exchange studied using a variety of NMR experiments. The McConnell equations are in the mathematical form of an inhomogeneous system of first-order differential equations. Here we rewrite the McConnell equations in a homogeneous form in order to facilitate fast and simple numerical calculation of the solution to the equation system. The McConnell equations can only treat equilibrium chemical exchange. We therefore also present a homogeneous equation system that can handle both equilibrium and non-equilibrium chemical processes correctly, as long as the kinetics is of first-order. Finally, the same method of rewriting the inhomogeneous form of the McConnell equations into a homogeneous form is applied to a quantum mechanical treatment of a spin system in chemical exchange. In order to illustrate the homogeneous McConnell equations, we have simulated pulse sequences useful for measuring exchange rates in slow, intermediate and fast chemical exchange processes. A stopped-flow NMR experiment was simulated using the equations for non-equilibrium chemical exchange. The quantum mechanical treatment was tested by the simulation of a sensitivity enhanced 15 N-HSQC with pulsed field gradients during slow chemical exchange and by the simulation of the transfer efficiency of a two-dimensional heteronuclear cross-polarization based experiment as a function of both chemical shift difference and exchange rate constants

Non-Equilibrium Liouville and Wigner Equations: Moment Methods and Long-Time Approximations

Directory of Open Access Journals (Sweden)

Ramon F. Álvarez-Estrada

2014-03-01

Full Text Available We treat the non-equilibrium evolution of an open one-particle statistical system, subject to a potential and to an external “heat bath” (hb with negligible dissipation. For the classical equilibrium Boltzmann distribution, Wc,eq, a non-equilibrium three-term hierarchy for moments fulfills Hermiticity, which allows one to justify an approximate long-time thermalization. That gives partial dynamical support to Boltzmann’s Wc,eq, out of the set of classical stationary distributions, Wc;st, also investigated here, for which neither Hermiticity nor that thermalization hold, in general. For closed classical many-particle systems without hb (by using Wc,eq, the long-time approximate thermalization for three-term hierarchies is justified and yields an approximate Lyapunov function and an arrow of time. The largest part of the work treats an open quantum one-particle system through the non-equilibrium Wigner function, W. Weq for a repulsive finite square well is reported. W’s (< 0 in various cases are assumed to be quasi-definite functionals regarding their dependences on momentum (q. That yields orthogonal polynomials, HQ,n(q, for Weq (and for stationary Wst, non-equilibrium moments, Wn, of W and hierarchies. For the first excited state of the harmonic oscillator, its stationary Wst is a quasi-definite functional, and the orthogonal polynomials and three-term hierarchy are studied. In general, the non-equilibrium quantum hierarchies (associated with Weq for the Wn’s are not three-term ones. As an illustration, we outline a non-equilibrium four-term hierarchy and its solution in terms of generalized operator continued fractions. Such structures also allow one to formulate long-time approximations, but make it more difficult to justify thermalization. For large thermal and de Broglie wavelengths, the dominant Weq and a non-equilibrium equation for W are reported: the non-equilibrium hierarchy could plausibly be a three-term one and possibly not

Foundations of atmospheric pressure non-equilibrium plasmas

Science.gov (United States)

Bruggeman, Peter J.; Iza, Felipe; Brandenburg, Ronny

2017-12-01

Non-equilibrium plasmas have been intensively studied over the past century in the context of material processing, environmental remediation, ozone generation, excimer lamps and plasma display panels. Research on atmospheric pressure non-equilibrium plasmas intensified over the last two decades leading to a large variety of plasma sources that have been developed for an extended application range including chemical conversion, medicine, chemical analysis and disinfection. The fundamental understanding of these discharges is emerging but there remain a lot of unexplained phenomena in these intrinsically complex plasmas. The properties of non-equilibrium plasmas at atmospheric pressure span over a huge range of electron densities as well as heavy particle and electron temperatures. This paper provides an overview of the key underlying processes that are important for the generation and stabilization of atmospheric pressure non-equilibrium plasmas. The unique physical and chemical properties of theses discharges are also summarized.

Non-equilibrium plasma kinetics of reacting CO: an improved state to state approach

Science.gov (United States)

Pietanza, L. D.; Colonna, G.; Capitelli, M.

2017-12-01

Non-equilibrium plasma kinetics of reacting CO for conditions typically met in microwave discharges have been developed based on the coupling of excited state kinetics and the Boltzmann equation for the electron energy distribution function (EEDF). Particular attention is given to the insertion in the vibrational kinetics of a complete set of electron molecule resonant processes linking the whole vibrational ladder of the CO molecule, as well as to the role of Boudouard reaction, i.e. the process of forming CO2 by two vibrationally excited CO molecules, in shaping the vibrational distribution of CO and promoting reaction channels assisted by vibrational excitation (pure vibrational mechanisms, PVM). PVM mechanisms can become competitive with electron impact dissociation processes (DEM) in the activation of CO. A case study reproducing the conditions of a microwave discharge has been considered following the coupled kinetics also in the post discharge conditions. Results include the evolution of EEDF in discharge and post discharge conditions highlighting the role of superelastic vibrational and electronic collisions in shaping the EEDF. Moreover, PVM rate coefficients and DEM ones are studied as a function of gas temperature, showing a non-Arrhenius behavior, i.e. the rate coefficients increase with decreasing gas temperature as a result of a vibrational-vibrational (V-V) pumping up mechanism able to form plateaux in the vibrational distribution function. The accuracy of the results is discussed in particular in connection to the present knowledge of the activation energy of the Boudouard process.

Two-proton correlation functions for equilibrium and non-equilibrium emission

International Nuclear Information System (INIS)

Gong, W.G.; Gelbke, C.K.; Carlin, N.; De Souza, R.T.; Kim, Y.D.; Lynch, W.G.; Murakami, T.; Poggi, G.; Sanderson, D.; Tsang, M.B.; Xu, H.M.; Michigan State Univ., East Lansing; Fields, D.E.; Kwiatkowski, K.; Planeta, R.; Viola, V.E. Jr.; Yennello, S.J.; Indiana Univ., Bloomington; Indiana Univ., Bloomington; Pratt, S.

1990-01-01

Two-proton correlation functions are compared for equilibrium and non-equilibrium emission processes investigated, respectively, in ''reverse kinematics'' for the reactions 129 Xe+ 27 Al and 129 Xe+ 122 Sn at E/A=31 MeV and in ''forward kinematics'' for the reaction 14 N+ 197 Au at E/A=75 MeV. Observed differences in the shapes of the correlation functions are understood in terms of the different time scales for equilibrium and preequilibrium emission. Transverse and longitudinal correlation functions are very similar. (orig.)

Diffusion in coronas around clinopyroxene: modelling with local equilibrium and steady state, and a non-steady-state modification to account for zoned actinolite-hornblende

Science.gov (United States)

Ashworth, J. R.; Birdi, J. J.; Emmett, T. F.

1992-01-01

Retrograde coronas of Caledonian age, between clinopyroxene and plagioclase in the Jotun Nappe Complex, Norway, illustrate the effects of diffusion kinetics on mineral distributions among layers and on the compositions of hornblende-actinolite. One corona type comprises a symplectite of epidote + quartz adjacent to plagioclase, and a less well-organized intergrowth of amphibole + quartz replacing clinopyroxene. The observed mineral proportions imply an open-system reaction, but the similarity of Al/Si ratios in reactant plagioclase and product symplectite indicates approximate conservation of Al2O3 and SiO2. The largest inferred open-system flux is a loss of CaO, mostly derived from consumption of clinopyroxene. The approximate layer structure, Pl|Ep + Qtz|Hbl + Qtz|Act±Hbl + Qtz|Cpx, is modelled using the theory of steady-state diffusion-controlled growth with local equilibrium. To obtain a solution, it is necessary to use a reactant plagioclase composition which takes into account aluminous (epidote) inclusions. The results indicate that, in terms of Onsager diffusion coefficients L ii , Ca is more mobile than AL ( L CaCa/ L AlAl≳3.) (where ≳ means greater than or approximately equal to). This behaviour of Ca is comparable with that of Mg in previously studied coronas around olivine. Si is non-diffusing in the present modelling, because of silica saturation. Oxidation of some Fe2+ to Fe3+ occurs within the corona. Mg diffuses towards its source (clinopyroxene) to maintain local equilibrium. Other coronas consist of two layers, hornblende adjacent to plagioclase and zoned amphibole + quartz adjacent to clinopyroxene. In the zoned layer, actinolitic hornblende forms relict patches, separated from quartz blebs by more aluminous hornblende. A preliminary steady-state, local-equilibrium model of grain-boundary diffusion explains the formation of low-Al and high-Al layers as due to Al immobility. Zoning and replacement are qualitatively explained in terms of

The role of non-equilibrium fluxes in the relaxation processes of the linear chemical master equation.

Science.gov (United States)

de Oliveira, Luciana Renata; Bazzani, Armando; Giampieri, Enrico; Castellani, Gastone C

2014-08-14

We propose a non-equilibrium thermodynamical description in terms of the Chemical Master Equation (CME) to characterize the dynamics of a chemical cycle chain reaction among m different species. These systems can be closed or open for energy and molecules exchange with the environment, which determines how they relax to the stationary state. Closed systems reach an equilibrium state (characterized by the detailed balance condition (D.B.)), while open systems will reach a non-equilibrium steady state (NESS). The principal difference between D.B. and NESS is due to the presence of chemical fluxes. In the D.B. condition the fluxes are absent while for the NESS case, the chemical fluxes are necessary for the state maintaining. All the biological systems are characterized by their "far from equilibrium behavior," hence the NESS is a good candidate for a realistic description of the dynamical and thermodynamical properties of living organisms. In this work we consider a CME written in terms of a discrete Kolmogorov forward equation, which lead us to write explicitly the non-equilibrium chemical fluxes. For systems in NESS, we show that there is a non-conservative "external vector field" whose is linearly proportional to the chemical fluxes. We also demonstrate that the modulation of these external fields does not change their stationary distributions, which ensure us to study the same system and outline the differences in the system's behavior when it switches from the D.B. regime to NESS. We were interested to see how the non-equilibrium fluxes influence the relaxation process during the reaching of the stationary distribution. By performing analytical and numerical analysis, our central result is that the presence of the non-equilibrium chemical fluxes reduces the characteristic relaxation time with respect to the D.B. condition. Within a biochemical and biological perspective, this result can be related to the "plasticity property" of biological systems and to their

The role of non-equilibrium fluxes in the relaxation processes of the linear chemical master equation

International Nuclear Information System (INIS)

Oliveira, Luciana Renata de; Bazzani, Armando; Giampieri, Enrico; Castellani, Gastone C.

2014-01-01

We propose a non-equilibrium thermodynamical description in terms of the Chemical Master Equation (CME) to characterize the dynamics of a chemical cycle chain reaction among m different species. These systems can be closed or open for energy and molecules exchange with the environment, which determines how they relax to the stationary state. Closed systems reach an equilibrium state (characterized by the detailed balance condition (D.B.)), while open systems will reach a non-equilibrium steady state (NESS). The principal difference between D.B. and NESS is due to the presence of chemical fluxes. In the D.B. condition the fluxes are absent while for the NESS case, the chemical fluxes are necessary for the state maintaining. All the biological systems are characterized by their “far from equilibrium behavior,” hence the NESS is a good candidate for a realistic description of the dynamical and thermodynamical properties of living organisms. In this work we consider a CME written in terms of a discrete Kolmogorov forward equation, which lead us to write explicitly the non-equilibrium chemical fluxes. For systems in NESS, we show that there is a non-conservative “external vector field” whose is linearly proportional to the chemical fluxes. We also demonstrate that the modulation of these external fields does not change their stationary distributions, which ensure us to study the same system and outline the differences in the system's behavior when it switches from the D.B. regime to NESS. We were interested to see how the non-equilibrium fluxes influence the relaxation process during the reaching of the stationary distribution. By performing analytical and numerical analysis, our central result is that the presence of the non-equilibrium chemical fluxes reduces the characteristic relaxation time with respect to the D.B. condition. Within a biochemical and biological perspective, this result can be related to the “plasticity property” of biological

Technical sheets of ionizing radiations. 2. Non-ionizing radiations

International Nuclear Information System (INIS)

Anon.

1975-01-01

The biological effects of different non-ionizing radiations are studied: ultra-violet radiation, visible radiation, infrared radiation, micrometric waves, ultrasonics. In spite of their apparent diversity these radiations are similar in their physico-chemical effects, but in view of their widely varying production methods and types of application each type is considered separately. It is pointed out that no organization resembling the CIPR exists in the field of non-ionizing radiations, the result being a great disparity amongst the different legislations in force [fr

The Matrix model, a driven state variables approach to non-equilibrium thermodynamics

NARCIS (Netherlands)

Jongschaap, R.J.J.

2001-01-01

One of the new approaches in non-equilibrium thermodynamics is the so-called matrix model of Jongschaap. In this paper some features of this model are discussed. We indicate the differences with the more common approach based upon internal variables and the more sophisticated Hamiltonian and GENERIC

Potential and flux field landscape theory. I. Global stability and dynamics of spatially dependent non-equilibrium systems.

Science.gov (United States)

Wu, Wei; Wang, Jin

2013-09-28

We established a potential and flux field landscape theory to quantify the global stability and dynamics of general spatially dependent non-equilibrium deterministic and stochastic systems. We extended our potential and flux landscape theory for spatially independent non-equilibrium stochastic systems described by Fokker-Planck equations to spatially dependent stochastic systems governed by general functional Fokker-Planck equations as well as functional Kramers-Moyal equations derived from master equations. Our general theory is applied to reaction-diffusion systems. For equilibrium spatially dependent systems with detailed balance, the potential field landscape alone, defined in terms of the steady state probability distribution functional, determines the global stability and dynamics of the system. The global stability of the system is closely related to the topography of the potential field landscape in terms of the basins of attraction and barrier heights in the field configuration state space. The effective driving force of the system is generated by the functional gradient of the potential field alone. For non-equilibrium spatially dependent systems, the curl probability flux field is indispensable in breaking detailed balance and creating non-equilibrium condition for the system. A complete characterization of the non-equilibrium dynamics of the spatially dependent system requires both the potential field and the curl probability flux field. While the non-equilibrium potential field landscape attracts the system down along the functional gradient similar to an electron moving in an electric field, the non-equilibrium flux field drives the system in a curly way similar to an electron moving in a magnetic field. In the small fluctuation limit, the intrinsic potential field as the small fluctuation limit of the potential field for spatially dependent non-equilibrium systems, which is closely related to the steady state probability distribution functional, is

Adaptive Chemical Networks under Non-Equilibrium Conditions: The Evaporating Droplet.

Science.gov (United States)

Armao, Joseph J; Lehn, Jean-Marie

2016-10-17

Non-volatile solutes in an evaporating drop experience an out-of-equilibrium state due to non-linear concentration effects and complex flow patterns. Here, we demonstrate a small molecule chemical reaction network that undergoes a rapid adaptation response to the out-of-equilibrium conditions inside the droplet leading to control over the molecular constitution and spatial arrangement of the deposition pattern. Adaptation results in a pronounced coffee stain effect and coupling to chemical concentration gradients within the drop is demonstrated. Amplification and suppression of network species are readily identifiable with confocal fluorescence microscopy. We anticipate that these observations will contribute to the design and exploration of out-of-equilibrium chemical systems, as well as be useful towards the development of point-of-care medical diagnostics and controlled deposition of small molecules through inkjet printing. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Examples of equilibrium and non-equilibrium behavior in evolutionary systems

Science.gov (United States)

Soulier, Arne

With this thesis, we want to shed some light into the darkness of our understanding of simply defined statistical mechanics systems and the surprisingly complex dynamical behavior they exhibit. We will do so by presenting in turn one equilibrium and then one non-equilibrium system with evolutionary dynamics. In part 1, we will present the seceder-model, a newly developed system that cannot equilibrate. We will then study several properties of the system and obtain an idea of the richness of the dynamics of the seceder model, which is particular impressive given the minimal amount of modeling necessary in its setup. In part 2, we will present extensions to the directed polymer in random media problem on a hypercube and its connection to the Eigen model of evolution. Our main interest will be the influence of time-dependent and time-independent changes in the fitness landscape viewed by an evolving population. This part contains the equilibrium dynamics. The stochastic models and the topic of evolution and non-equilibrium in general will allow us to point out similarities to the various lines of thought in game theory.

Transition from equilibrium ignition to non-equilibrium burn for ICF capsules surrounded by a high-Z pusher

International Nuclear Information System (INIS)

Li, Ji W.; Chang, Lei; Li, Yun S.; Li, Jing H.

2011-01-01

For the ICF capsule surrounded by a high-Z pusher which traps the radiation and confines the hot fuel, the fuel will first be ignited in thermal equilibrium with radiation at a much lower temperature than hot-spot ignition, which is also the low temperature ignition. Because of the lower areal density for ICF capsules, the equilibrium ignition must be developed into a non-equilibrium burn to shorten the reaction time and lower the drive energy. In this paper, the transition from the equilibrium ignition to non-equilibrium burn is discussed and the energy deposited by α particles required for the equilibrium ignition and non-equilibrium burn to occur is estimated.

Non-equilibrium Quasi-Chemical Nucleation Model

Science.gov (United States)

Gorbachev, Yuriy E.

2018-04-01

Quasi-chemical model, which is widely used for nucleation description, is revised on the basis of recent results in studying of non-equilibrium effects in reacting gas mixtures (Kolesnichenko and Gorbachev in Appl Math Model 34:3778-3790, 2010; Shock Waves 23:635-648, 2013; Shock Waves 27:333-374, 2017). Non-equilibrium effects in chemical reactions are caused by the chemical reactions themselves and therefore these contributions should be taken into account in the corresponding expressions for reaction rates. Corrections to quasi-equilibrium reaction rates are of two types: (a) spatially homogeneous (caused by physical-chemical processes) and (b) spatially inhomogeneous (caused by gas expansion/compression processes and proportional to the velocity divergency). Both of these processes play an important role during the nucleation and are included into the proposed model. The method developed for solving the generalized Boltzmann equation for chemically reactive gases is applied for solving the set of equations of the revised quasi-chemical model. It is shown that non-equilibrium processes lead to essential deviation of the quasi-stationary distribution and therefore the nucleation rate from its traditional form.

Dynamical Symmetries and Causality in Non-Equilibrium Phase Transitions

Directory of Open Access Journals (Sweden)

Malte Henkel

2015-11-01

Full Text Available Dynamical symmetries are of considerable importance in elucidating the complex behaviour of strongly interacting systems with many degrees of freedom. Paradigmatic examples are cooperative phenomena as they arise in phase transitions, where conformal invariance has led to enormous progress in equilibrium phase transitions, especially in two dimensions. Non-equilibrium phase transitions can arise in much larger portions of the parameter space than equilibrium phase transitions. The state of the art of recent attempts to generalise conformal invariance to a new generic symmetry, taking into account the different scaling behaviour of space and time, will be reviewed. Particular attention will be given to the causality properties as they follow for co-variant n-point functions. These are important for the physical identification of n-point functions as responses or correlators.

Isotope effects in the equilibrium and non-equilibrium vaporization of tritiated water and ice

International Nuclear Information System (INIS)

Baumgaertner, F.; Kim, M.-A.

1990-01-01

The vaporization isotope effect of the HTO/H 2 O system has been measured at various temperatures and pressures under equilibrium as well as non-equilibrium conditions. The isotope effect values measured in equilibrium sublimation or distillation are in good agreement with the theoretical values based on the harmonic oscillator model. In non-equilibrium vaporization at low temperatures ( 0 C), the isotope effect decreases rapidly with decreasing system pressure and becomes negligible when the system pressure is lowered more than one tenth of the equilibrium vapor pressure. At higher temperatures, the isotope effect decreases very slowly with decreasing system pressure. Discussion is extended for the application of the present results to the study of biological enrichment of tritium. (author)

Calculations on charge state and energy loss of argon ions in partially and fully ionized carbon plasmas.

Science.gov (United States)

Barriga-Carrasco, Manuel D; Casas, David; Morales, Roberto

2016-03-01

The energy loss of argon ions in a target depends on their velocity and charge density. At the energies studied in this work, it depends mostly on the free and bound electrons in the target. Here the random-phase approximation is used for analyzing free electrons at any degeneracy. For the plasma-bound electrons, an interpolation between approximations for low and high energies is applied. The Brandt-Kitagawa (BK) model is employed to depict the projectile charge space distribution, and the stripping criterion of Kreussler et al. is used to determine its equilibrium charge state Q(eq). This latter criterion implies that the equilibrium charge state depends slightly on the electron density and temperature of the plasma. On the other hand, the effective charge Q(eff) is obtained as the ratio between the energy loss of the argon ion and that of the proton for the same plasma conditions. This effective charge Q(eff) is larger than the equilibrium charge state Q(eq) due to the incorporation of the BK charge distribution. Though our charge-state estimations are not exactly the same as the experimental values, our energy loss agrees quite well with the experiments. It is noticed that the energy loss in plasmas is higher than that in the same cold target of about, ∼42-62.5% and increases with carbon plasma ionization. This confirms the well-known enhanced plasma stopping. It is also observed that only a small part of this energy loss enhancement is due to an increase of the argon charge state, namely only ∼2.2 and 5.1%, for the partially and the fully ionized plasma, respectively. The other contribution is connected with a better energy transfer to the free electrons at plasma state than to the bound electrons at solid state of about, ∼38.8-57.4%, where higher values correspond to a fully ionized carbon plasma.

Controlling competing electronic orders via non-equilibrium acoustic phonons

Science.gov (United States)

Schuett, Michael; Orth, Peter; Levchenko, Alex; Fernandes, Rafael

The interplay between multiple electronic orders is a hallmark of strongly correlated systems displaying unconventional superconductivity. While doping, pressure, and magnetic field are the standard knobs employed to assess these different phases, ultrafast pump-and-probe techniques opened a new window to probe these systems. Recent examples include the ultrafast excitation of coherent optical phonons coupling to electronic states in cuprates and iron pnictides. In this work, we demonstrate theoretically that non-equilibrium acoustic phonons provide a promising framework to manipulate competing electronic phases and favor unconventional superconductivity over other states. In particular, we show that electrons coupled to out-of-equilibrium anisotropic acoustic phonons enter a steady state in which the effective electronic temperature varies around the Fermi surface. Such a momentum-dependent temperature can then be used to selectively heat electronic states that contribute primarily to density-wave instabilities, reducing their competition with superconductivity. We illustrate this phenomenon by computing the microscopic steady-state phase diagram of the iron pnictides, showing that superconductivity is enhanced with respect to the competing antiferromagnetic phase.

Negative velocity fluctuations and non-equilibrium fluctuation relation for a driven high critical current vortex state.

Science.gov (United States)

Bag, Biplab; Shaw, Gorky; Banerjee, S S; Majumdar, Sayantan; Sood, A K; Grover, A K

2017-07-17

Under the influence of a constant drive the moving vortex state in 2H-NbS 2 superconductor exhibits a negative differential resistance (NDR) transition from a steady flow to an immobile state. This state possesses a high depinning current threshold ([Formula: see text]) with unconventional depinning characteristics. At currents well above [Formula: see text], the moving vortex state exhibits a multimodal velocity distribution which is characteristic of vortex flow instabilities in the NDR regime. However at lower currents which are just above [Formula: see text], the velocity distribution is non-Gaussian with a tail extending to significant negative velocity values. These unusual negative velocity events correspond to vortices drifting opposite to the driving force direction. We show that this distribution obeys the Gallavotti-Cohen Non-Equilibrium Fluctuation Relation (GC-NEFR). Just above [Formula: see text], we also find a high vortex density fluctuating driven state not obeying the conventional GC-NEFR. The GC-NEFR analysis provides a measure of an effective energy scale (E eff ) associated with the driven vortex state. The E eff corresponds to the average energy dissipated by the fluctuating vortex state above [Formula: see text]. We propose the high E eff value corresponds to the onset of high energy dynamic instabilities in this driven vortex state just above [Formula: see text].

Non-equilibrium condensation process in holographic superconductor with nonlinear electrodynamics

Energy Technology Data Exchange (ETDEWEB)

Liu, Yunqi; Gong, Yungui [School of Physics, Huazhong University of Science and Technology,Wuhan, Hubei 430074 (China); Wang, Bin [IFSA Collaborative Innovation Center, Department of Physics and Astronomy, Shanghai Jiao Tong University,Shanghai 200240 (China)

2016-02-17

We study the non-equilibrium condensation process in a holographic superconductor with nonlinear corrections to the U(1) gauge field. We start with an asymptotic Anti-de-Sitter(AdS) black hole against a complex scalar perturbation at the initial time, and solve the dynamics of the gravitational systems in the bulk. When the black hole temperature T is smaller than a critical value T{sub c}, the scalar perturbation grows exponentially till saturation, the final state of spacetime approaches to a hairy black hole. In the bulk theory, we find the clue of the influence of nonlinear corrections in the gauge filed on the process of the scalar field condensation. We show that the bulk dynamics in the non-equilibrium process is completely consistent with the observations on the boundary order parameter. Furthermore we examine the time evolution of horizons in the bulk non-equilibrium transformation process from the bald AdS black hole to the AdS hairy hole. Both the evolution of apparent and event horizons show that the original AdS black hole configuration requires more time to finish the transformation to become a hairy black hole if there is nonlinear correction to the electromagnetic field. We generalize our non-equilibrium discussions to the holographic entanglement entropy and find that the holographic entanglement entropy can give us further understanding of the influence of the nonlinearity in the gauge field on the scalar condensation.

Non-Equilibrium Thermodynamics in Multiphase Flows

CERN Document Server

Mauri, Roberto

2013-01-01

Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...

Non-perturbative methods applied to multiphoton ionization

International Nuclear Information System (INIS)

Brandi, H.S.; Davidovich, L.; Zagury, N.

1982-09-01

The use of non-perturbative methods in the treatment of atomic ionization is discussed. Particular attention is given to schemes of the type proposed by Keldysh where multiphoton ionization and tunnel auto-ionization occur for high intensity fields. These methods are shown to correspond to a certain type of expansion of the T-matrix in the intra-atomic potential; in this manner a criterium concerning the range of application of these non-perturbative schemes is suggested. A brief comparison between the ionization rate of atoms in the presence of linearly and circularly polarized light is presented. (Author) [pt

Non-equilibrium steady states: maximization of the Shannon entropy associated with the distribution of dynamical trajectories in the presence of constraints

International Nuclear Information System (INIS)

Monthus, Cécile

2011-01-01

Filyokov and Karpov (1967 Inzh.-Fiz. Zh. 13 624) have proposed a theory of non-equilibrium steady states in direct analogy with the theory of equilibrium states: the principle is to maximize the Shannon entropy associated with the probability distribution of dynamical trajectories in the presence of constraints, including the macroscopic current of interest, via the method of Lagrange multipliers. This maximization leads directly to the generalized Gibbs distribution for the probability distribution of dynamical trajectories, and to some fluctuation relation of the integrated current. The simplest stochastic dynamics where these ideas can be applied are discrete-time Markov chains, defined by transition probabilities W i→j between configurations i and j: instead of choosing the dynamical rules W i→j a priori, one determines the transition probabilities and the associate stationary state that maximize the entropy of dynamical trajectories with the other physical constraints that one wishes to impose. We give a self-contained and unified presentation of this type of approach, both for discrete-time Markov chains and for continuous-time master equations. The obtained results are in full agreement with the Bayesian approach introduced by Evans (2004 Phys. Rev. Lett. 92 150601) under the name 'Non-equilibrium Counterpart to detailed balance', and with the 'invariant quantities' derived by Baule and Evans (2008 Phys. Rev. Lett. 101 240601), but provide a slightly different perspective via the formulation in terms of an eigenvalue problem

Classical and Quantum Models in Non-Equilibrium Statistical Mechanics: Moment Methods and Long-Time Approximations

Directory of Open Access Journals (Sweden)

Ramon F. Alvarez-Estrada

2012-02-01

Full Text Available We consider non-equilibrium open statistical systems, subject to potentials and to external “heat baths” (hb at thermal equilibrium at temperature T (either with ab initio dissipation or without it. Boltzmann’s classical equilibrium distributions generate, as Gaussian weight functions in momenta, orthogonal polynomials in momenta (the position-independent Hermite polynomialsHn’s. The moments of non-equilibrium classical distributions, implied by the Hn’s, fulfill a hierarchy: for long times, the lowest moment dominates the evolution towards thermal equilibrium, either with dissipation or without it (but under certain approximation. We revisit that hierarchy, whose solution depends on operator continued fractions. We review our generalization of that moment method to classical closed many-particle interacting systems with neither a hb nor ab initio dissipation: with initial states describing thermal equilibrium at T at large distances but non-equilibrium at finite distances, the moment method yields, approximately, irreversible thermalization of the whole system at T, for long times. Generalizations to non-equilibrium quantum interacting systems meet additional difficulties. Three of them are: (i equilibrium distributions (represented through Wigner functions are neither Gaussian in momenta nor known in closed form; (ii they may depend on dissipation; and (iii the orthogonal polynomials in momenta generated by them depend also on positions. We generalize the moment method, dealing with (i, (ii and (iii, to some non-equilibrium one-particle quantum interacting systems. Open problems are discussed briefly.

Paths to equilibrium in non-conformal collisions

Directory of Open Access Journals (Sweden)

Attems Maximilian

2018-01-01

Full Text Available Ever since fast hydrodynamization has been observed in heavy ion collisions the understanding of the hot early out-of-equilibrium stage of such collisions has been a topic of intense research. We use the gauge/gravity duality to model the creation of a strongly coupled Quark-Gluon plasma in a non-conformal gauge theory. This numerical relativity study is the first non-conformal holographic simulation of a heavy ion collision and reveals the existence of new relaxation channels due to the presence of non-vanishing bulk viscosity. We study shock wave collisions at different energies in gauge theories with different degrees of non-conformality and compare three relaxation times which can occur in different orderings: the hydrodynamization time (when hydrodynamics becomes applicable, the EoSization time (when the average pressure approaches its equilibrium value and the condensate relaxation time (when the expectation value of a scalar operator approaches its equilibrium value. We find that these processes can occur in several different orderings. In particular, the condensate can remain far from equilibrium even long after the plasma has hydrodynamized and EoSized.

Non-equilibrium effects upon the non-Markovian Caldeira-Leggett quantum master equation

International Nuclear Information System (INIS)

Bolivar, A.O.

2011-01-01

Highlights: → Classical Brownian motion described by a non-Markovian Fokker-Planck equation. → Quantization process. → Quantum Brownian motion described by a non-Markovian Caldeira-Leggett equation. → A non-equilibrium quantum thermal force is predicted. - Abstract: We obtain a non-Markovian quantum master equation directly from the quantization of a non-Markovian Fokker-Planck equation describing the Brownian motion of a particle immersed in a generic environment (e.g. a non-thermal fluid). As far as the especial case of a heat bath comprising of quantum harmonic oscillators is concerned, we derive a non-Markovian Caldeira-Leggett master equation on the basis of which we work out the concept of non-equilibrium quantum thermal force exerted by the harmonic heat bath upon the Brownian motion of a free particle. The classical limit (or dequantization process) of this sort of non-equilibrium quantum effect is scrutinized, as well.

Non-equilibrium modeling of UV laser induced plasma on a copper target in the presence of Cu{sup 2+}

Energy Technology Data Exchange (ETDEWEB)

Ait Oumeziane, Amina, E-mail: a.aitoumeziane@gmail.com; Liani, Bachir [Laboratoire de Physique Théorique, Abou Beker Blekaid University (Algeria); Parisse, Jean-Denis [IUSTI UMR CNRS 7343, Aix-Marseille University (France); French Air School, Salon de Provence (France)

2016-03-15

This work is a contribution to the understanding of UV laser ablation of a copper sample in the presence of Cu{sup 2+} species as well as electronic non-equilibrium in the laser induced plasma. This particular study extends a previous paper and develops a 1D hydrodynamic model to describe the behavior of the laser induced plume, including the thermal non-equilibrium between electrons and heavy particles. Incorporating the formation of doubly charged ions (Cu{sup 2+}) in such an approach has not been considered previously. We evaluate the effect of the presence of doubly ionized species on the characteristics of the plume, i.e., temperature, pressure, and expansion velocity, and on the material itself by evaluating the ablation depth and plasma shielding effects. This study evaluates the effects of the doubly charged species using a non-equilibrium hydrodynamic approach which comprises a contribution to the understanding of the governing processes of the interaction of ultraviolet nanosecond laser pulses with metals and the parameter optimization depending on the intended application.

Non-equilibrium phase transition

International Nuclear Information System (INIS)

Mottola, E.; Cooper, F.M.; Bishop, A.R.; Habib, S.; Kluger, Y.; Jensen, N.G.

1998-01-01

This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Non-equilibrium phase transitions play a central role in a very broad range of scientific areas, ranging from nuclear, particle, and astrophysics to condensed matter physics and the material and biological sciences. The aim of this project was to explore the path to a deeper and more fundamental understanding of the common physical principles underlying the complex real time dynamics of phase transitions. The main emphasis was on the development of general theoretical tools to deal with non-equilibrium processes, and of numerical methods robust enough to capture the time-evolving structures that occur in actual experimental situations. Specific applications to Laboratory multidivisional efforts in relativistic heavy-ion physics (transition to a new phase of nuclear matter consisting of a quark-gluon plasma) and layered high-temperature superconductors (critical currents and flux flow at the National High Magnetic Field Laboratory) were undertaken

Charge-changing processes of heavy ions in matter. Non-equilibrium charge state distribution of sulfur ions after carbon foil penetration

International Nuclear Information System (INIS)

Imai, Makoto; Shibata, Hiromi; Sataka, Masao; Sugai, Hiroyuki; Nishio, Katsuhisa; Sugiyama, Koji; Komaki, Ken-ichiro

2005-01-01

Charge state distributions of 2.0 MeV/u (64 MeV) sulfur ions of various initial charge states (6+, 10+, 11+, 13+) after passing through 0.9, 1.1, 1.5, 2.0, 3.0, 4.7, 6.9 and 10 μg/cm 2 carbon foils have been studied experimentally using the heavy ion spectrometer 'ENMA'. Measured charge state distributions do not flat off to establish equilibrium within the measured thickness, proving to be the first systematic measurement of non-equilibrium charge state distribution using solid target at this energy range. The mean charge states and their distribution widths almost saturate to 12.4 and 1.03, respectively, for all initial charge states examined. Calculation with ETACHA code, developed by Rozet et al. [Nucl. Instr. and Meth. B 107 (1996) 67], is employed, although the present impact energy is lower than the assumed energy region for this code. It was also confirmed that a certain portion of 16 O q+ (q=3, 4, 7) beam is included in 32 S q+ (q=6, 8, 14) beam provided from the Tandem Accelerator, which originates in the Negative Ion Source forming O 2 - . (author)

The Influence of Chemi-Ionization and Recombination Processes on Spectral Line Shapes in Stellar Atmospheres

Directory of Open Access Journals (Sweden)

Mihajlov Anatolij A.

2011-12-01

Full Text Available The chemi-ionization processes in atom - Rydberg atom collisions, as well as the corresponding chemi-recombination processes, are considered as factors of influence on the atom exited-state populations in weakly ionized layers of stellar atmospheres. The presented results are related to the photospheres of the Sun and some M red dwarfs, as well as weakly ionized layers of DB white dwarf atmospheres. It has been found that the mentioned chemi-ionization and recombination processes dominate over the concurrent electron-atom and electron-ion ionization and recombination processes in all parts of the considered stellar atmospheres. The obtained results demonstrate the fact that the considered processes must have significant influence on the optical properties of stellar atmospheres. It is shown that these processes and their importance for non-local thermodynamic equilibrium (non-LTE modeling of the solar atmospheres should be investigated further.

To the theory of fluctuations in a non-equilibrium plasma with taking into account the particle collisional interaction

International Nuclear Information System (INIS)

Puchkov, V.A.

1998-01-01

A method for calculation of non-equilibrium fluctuations in a totally ionized stable plasma with taking into account the particle collisions is proposed. The spectrum of high-frequency fluctuations of the electric field is calculated by the developed method. The formula obtained for the spectrum takes into consideration both the Coulomb collisions and influence of collective effects on the collisions and is applicable for stable arbitrary distributions of electrons and ions

Non-grey benchmark results for two temperature non-equilibrium radiative transfer

International Nuclear Information System (INIS)

Su, B.; Olson, G.L.

1999-01-01

Benchmark solutions to time-dependent radiative transfer problems involving non-equilibrium coupling to the material temperature field are crucial for validating time-dependent radiation transport codes. Previous efforts on generating analytical solutions to non-equilibrium radiative transfer problems were all restricted to the one-group grey model. In this paper, a non-grey model, namely the picket-fence model, is considered for a two temperature non-equilibrium radiative transfer problem in an infinite medium. The analytical solutions, as functions of space and time, are constructed in the form of infinite integrals for both the diffusion description and transport description. These expressions are evaluated numerically and the benchmark results are generated. The asymptotic solutions for large and small times are also derived in terms of elementary functions and are compared with the exact results. Comparisons are given between the transport and diffusion solutions and between the grey and non-grey solutions. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems

International Nuclear Information System (INIS)

Wu, Wei; Wang, Jin

2014-01-01

We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series

Non-equilibrium quantum heat machines

Science.gov (United States)

Alicki, Robert; Gelbwaser-Klimovsky, David

2015-11-01

Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.

Non-equilibrium quantum heat machines

International Nuclear Information System (INIS)

Alicki, Robert; Gelbwaser-Klimovsky, David

2015-01-01

Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound. (paper)

Cumulants in perturbation expansions for non-equilibrium field theory

International Nuclear Information System (INIS)

Fauser, R.

1995-11-01

The formulation of perturbation expansions for a quantum field theory of strongly interacting systems in a general non-equilibrium state is discussed. Non-vanishing initial correlations are included in the formulation of the perturbation expansion in terms of cumulants. The cumulants are shown to be the suitable candidate for summing up the perturbation expansion. Also a linked-cluster theorem for the perturbation series with cumulants is presented. Finally a generating functional of the perturbation series with initial correlations is studied. We apply the methods to a simple model of a fermion-boson system. (orig.)

Non-equilibrium Green's functions method: Non-trivial and disordered leads

Science.gov (United States)

He, Yu; Wang, Yu; Klimeck, Gerhard; Kubis, Tillmann

2014-11-01

The non-equilibrium Green's function algorithm requires contact self-energies to model charge injection and extraction. All existing approaches assume infinitely periodic leads attached to a possibly quite complex device. This contradicts today's realistic devices in which contacts are spatially inhomogeneous, chemically disordered, and impacting the overall device characteristics. This work extends the complex absorbing potentials method for arbitrary, ideal, or non-ideal leads in atomistic tight binding representation. The algorithm is demonstrated on a Si nanowire with periodic leads, a graphene nanoribbon with trumpet shape leads, and devices with leads of randomly alloyed Si0.5Ge0.5. It is found that alloy randomness in the leads can reduce the predicted ON-state current of Si0.5Ge0.5 transistors by 45% compared to conventional lead methods.

Equilibrium and non-equilibrium extraction separation of rare earth metals in presence of diethylenetriaminepentaacetic acid in aqueous phase

International Nuclear Information System (INIS)

Azis, Abdul; Teramoto, Masaaki; Matsuyama, Hideto.

1995-01-01

Equilibrium and non-equilibrium extraction separations of rare earth metals were carried out in the presence of chelating agent in the aqueous phase. The separation systems of the rare earth metal mixtures used were Y/Dy, Y/Ho, Y/Er and Y/Tm, and the chelating agent and the extractant were diethylenetriaminepentaacetic acid (DTPA) and bis (2,4,4-trimethylpentyl) phosphinic acid (CYANEXR 272), respectively. For Y/Dy and Y/Ho systems, higher selectivities were obtained in equilibrium separation compared with those in non-equilibrium separation. On the other hand, the selectivities in non-equilibrium separation were higher for Y/Er and Y/Tm systems. In the separation condition suitable to each system, the addition of DTPA to the aqueous phase was found to be very effective for obtaining higher selectivities. The distribution ratios of the rare earth metals and the selectivities in the equilibrium separations obtained experimentally were thoroughly analyzed by considering various equilibria such as the extraction equilibrium and the complex formation equilibrium between rare earth metals and DTPA in the aqueous phase. Moreover, the extraction rates and the selectivities in the non-equilibrium separations were also analyzed by the extraction model considering the dissociation reactions of the rare earth metal-DTPA complexes in the aqueous stagnant layer. Based on these analyses, we presented an index which is useful for selecting the optimum operation mode. Using this index, we can predict that the selectivities under equilibrium conditions are higher than those under non-equilibrium conditions for Y/Dy and Y/Ho systems, while for Y/Er and Y/Tm systems, higher selectivities are obtained under non-equilibrium conditions. The experimental results were in agreement with predictions by this index. Further, the selectivities in various systems including other chelating agents and extractants were discussed based on this index. (J.P.N.)

Non-Ionizing Radiation - sources, exposure and health effects

International Nuclear Information System (INIS)

Hietanen, M.

2003-01-01

Non-ionizing radiation contains the electromagnetic wavelengths from ultraviolet (UV) radiation to static electric and magnetic fields. Optical radiation consists of UV, visible and infrared (IR) radiation while EM fields include static, extremely low (ELF), low frequency (LF) and radiofrequency (RF) fields. The principal scientific organization on non-ionizing radiation is the International Commission on Non-Ionizing Radiation Protection (ICNIRP). The main activity of ICNIRP is to provide guidance on safe exposure and protection of workers and members of the public by issuing statements and recommendations. (orig.)

Tissue macrophage activation: a shared sign of exposure to ionizing and non-ionizing radiation

International Nuclear Information System (INIS)

Petrenyov, D.R.

2012-01-01

The features of oxidative metabolism of peritoneal macrophages were studied in rats exposed to ionizing and non-ionizing radiation. An increased RNS and ROS production reported in animals exposed to both source of radiation showing non-specific response of organism. (authors)

Non-equilibrium QCD of high-energy multi-gluon dynamics

International Nuclear Information System (INIS)

Geiger, K.

1996-01-01

A non-equilibrium QCD description of multiparticle dynamics in space-time is of both fundamental and phenomenological interest. Here the authors discusses an attempt to derive from first principles, a real-time formalism to study the dynamical interplay of quantum and statistical-kinetic properties of non-equilibrium multi-parton systems produced in high-energy QCD processes. The ultimate goal (from which one is still far away) is to have a practically applicable description of the space-time evolution of a general initial system of gluons and quarks, characterized by some large energy or momentum scale, that expands, diffuses and dissipates according to the self- and mutual-interactions, and eventually converts dynamically into final state hadrons. For example, the evolution of parton showers in the mechanism of parton-hadron conversion in high-energy hadronic collisions, or, the description of formation, evolution and freezeout of a quark-gluon plasma, in ultra-relativistic heavy-ion collisions

Calculation of Ion Charge State Distributions After Inner-Shell Ionization in Xe Atom

International Nuclear Information System (INIS)

Mohammedein, A.M.; Ghoneim, A.A.; Kandil, M.K.; Kadad, I.M.

2009-01-01

The vacancy cascades following initial inner-shell vacancies in single and multi-ionized atoms often lead to highly charged residual ions. The inner-shell vacancy produced by ionization processes may decay by either a radiative or non-radiative transition. In addition to the vacancy filling processes, there is an electron shake off process due to the change of core potential of the atom. In the calculation of vacancy cascades, the radiative (x-ray) and non-radiative (Auger and Coster-Kronig) branching ratios give valuable information on the de-excitation dynamics of an atom with inner-shell vacancy. The production of multi-charged ions yield by the Auger cascades following inner shell ionization of an atom has been studied both experimentally and theoretically. Multi-charged Xe ions following de-excitation of K, L 1 , L 2,3 , M 1 , M 2,3 and M 4,5 subshell vacancies are calculated using Monte-Carlo algorithm to simulate the vacancy cascade development. Fluorescence yield (radiative) and Auger, Coster- Kronig yield (non- radiative) are evaluated. The decay of K hole state through radiative transitions is found to be more probable than non-radiative transitions in the first step of de-excitation. On the other hand, the decay of L, M vacancies through non-radiative transitions are more probable. The K shell ionization in Xe atom mainly yields Xe 7+ , Xe 8+ , Xe 9+ and Xe 1 0 + ions, and the charged X 8+ ions are the highest. The main product from the L 1 shell ionization is found to be Xe 8+ , Xe 9+ ions, while the charged Xe 8+ ions predominate at L 2,3 hole states. The charged Xe 6+ , Xe 7+ and Xe 8+ ions mainly yield from 3s 1/2 and 3p 1/2 , 3/2 ionization, while Xe in 3d 3/2 , 5/2 hole states mainly turns into Xe 4+ and Xe 5+ ions. The present results are found to agree well with the experimental data. (author)

Equilibrium states for a plane incompressible perfect fluid

Energy Technology Data Exchange (ETDEWEB)

Boldrighini, C; Frigio, S [Camerino Univ. (Italy). Istituto di Matematica

1980-01-01

We associate to the plane incompressible Euler equation with periodic conditions the corresponding Hopf equation, as an equation for measures on the space of solenoidal distributions. We define equilibrium states as the solutions of the stationary Hopf equation. We find a class of equilibrium states which corresponds to a class of infinitely divisible distributions, and investigate the properties of gaussian and poissonian states. Equilibrium dynamics for a class of poissonian states is constructed by means of the Onsager vortex equations.

Experimental Studies for the Evaluation of Non-Ionizing Radiation Levels

International Nuclear Information System (INIS)

Nasr, A.; Ashour, M.

2008-01-01

This article concerns the characteristic studies of non-ionizing; microwave, radiations. The power density levels, frequency ranges, modulation types, and the Fast Fourier Transform (FFT) are discussed. The experimental data are collected from the Egyptian Atomic Energy Authority (EAEA) locations in Nasr city and Anshas. This study has been carried out by Spectrum analyzer (SA) system, which implied radio frequency coaxial cable and horn antenna with height holders. The horn antenna was adjusted to scan all directions for investigating the signal strength. From this study, we obtain two main non-ionizing signals at center frequencies 900, and 1800 MHz, which are exploited by mobile communications networks. During the silence state, the measured maximum power densities levels for both frequencies are 0.553 μ W/cm 2 and 0.0191μW/cm 2 , respectively. While the measured maximum power densities, during alarm (ringing) state, are 98.67μ W/cm 2 and 2.961μ W/cm 2 for considered two frequencies, correspondingly. One can notice that the power densities are multiplied 178 times and 155 times for the same mentioned frequencies in that order. Moreover, these non-ionizing signals are analyzed theoretically and experimentally by utilizing FFT functions to clarify the Amplitude Modulations (AM) ratios and voltage strengths of these signals. Furthermore, the Occupied Band Width (OBW) ratio, and the division from the center frequency of the channel, (δFc) are clarified

Combined equilibrium and non-equilibrium phosphorus segregation to grain boundaries in a 2.25Cr1Mo steel

International Nuclear Information System (INIS)

Song, S.-H.; Shen, D.-D.; Yuan, Z.-X.; Liu, J.; Xu, T.-D.; Weng, L.-Q.

2003-01-01

Grain boundary segregation of phosphorus in a P-doped 2.25Cr1Mo steel during ageing at 540 deg. C after quenching from 980 deg. C is examined by Auger electron spectroscopy. The segregation is a combined effect of equilibrium segregation and non-equilibrium segregation. The effect of phosphorus non-equilibrium segregation is to enhance the kinetics of its equilibrium segregation

Understanding Non-equilibrium Thermodynamics Foundations, Applications, Frontiers

CERN Document Server

Jou, David; Lebon, Georgy

2007-01-01

This book offers a homogeneous presentation of the many faces of non-equilibrium thermodynamics. The first part is devoted to a description of the nowadays thermodynamic formalism recognized as the classical theory of non-equilibrium processes. This part of the book may serve as a basis to an introductory course dedicated to first-year graduate students in sciences and engineering. The classical description can however not be complete, as it rests on the hypothesis of local equilibrium. This has fostered the development of many theories going beyond local equilibrium and which cannot be put aside. The second part of the book is concerned with these different approaches, and will be of special interest for PhD students and researchers. For the sake of homogeneity, the authors have used the general structure and methods presented in the first part. Indeed, besides their differences, all these formalisms are not closed boxes but present some overlappings and parallelisms which are emphasized in this book. For pe...

Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.

Science.gov (United States)

Khantuleva, Tatiana A; Shalymov, Dmitry S

2017-03-06

The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).

Amplitude oscillations in a non-equilibrium polariton condensate

Science.gov (United States)

Brierley, Richard; Littlewood, Peter; Eastham, Paul

2011-03-01

Like cold atomic gases, semiconductor nanostructures provide new opportunities for exploring non-equilibrium quantum dynamics. In semiconductor microcavities the strong coupling between trapped photons and excitons produces new quasiparticles, polaritons, which can undergo Bose-Einstein condensation. Quantum quenches can be realised by rapidly creating cold exciton populations with a laser [Eastham and Phillips, PRB 79 165303 (2009)]. The mean field theory of non-equilibrium polariton condensates predicts oscillations in the condensate amplitude due to the excitation of a Higgs mode. These oscillations are the analogs of those predicted in quenched cold atomic gases and may occur in the polariton system after performing a quench or by direct excitation of the amplitude mode. We have studied the stability of these oscillations beyond mean field theory. We show that homogeneous amplitude oscillations are unstable to decay into lower energy phase modes at finite wavevectors, suggesting the onset of chaotic behaviour. The resulting hierarchy of decay processes can be understood by analogy to optical parametric oscillators in microcavities. Polariton systems thus provide an interesting opportunity to study the dynamics of Higgs-like modes in a solid state system.

Non-equilibrium thermodynamics

CERN Document Server

De Groot, Sybren Ruurds

1984-01-01

The study of thermodynamics is especially timely today, as its concepts are being applied to problems in biology, biochemistry, electrochemistry, and engineering. This book treats irreversible processes and phenomena - non-equilibrium thermodynamics.S. R. de Groot and P. Mazur, Professors of Theoretical Physics, present a comprehensive and insightful survey of the foundations of the field, providing the only complete discussion of the fluctuating linear theory of irreversible thermodynamics. The application covers a wide range of topics: the theory of diffusion and heat conduction, fluid dyn

Evolution and non-equilibrium physics

DEFF Research Database (Denmark)

Becker, Nikolaj; Sibani, Paolo

2014-01-01

We argue that the stochastic dynamics of interacting agents which replicate, mutate and die constitutes a non-equilibrium physical process akin to aging in complex materials. Specifically, our study uses extensive computer simulations of the Tangled Nature Model (TNM) of biological evolution...

Quantum statistical mechanics of dense partially ionized hydrogen.

Science.gov (United States)

Dewitt, H. E.; Rogers, F. J.

1972-01-01

The theory of dense hydrogenic plasmas beginning with the two component quantum grand partition function is reviewed. It is shown that ionization equilibrium and molecular dissociation equilibrium can be treated in the same manner with proper consideration of all two-body states. A quantum perturbation expansion is used to give an accurate calculation of the equation of state of the gas for any degree of dissociation and ionization. In this theory, the effective interaction between any two charges is the dynamic screened potential obtained from the plasma dielectric function. We make the static approximation; and we carry out detailed numerical calculations with the bound and scattering states of the Debye potential, using the Beth-Uhlenbeck form of the quantum second virial coefficient. We compare our results with calculations from the Saha equation.

Investigation of Non-Equilibrium Radiation for Earth Entry

Science.gov (United States)

Brandis, A. M.; Johnston, C. O.; Cruden, B. A.

2016-01-01

For Earth re-entry at velocities between 8 and 11.5 km/s, the accuracy of NASA's computational uid dynamic and radiative simulations of non-equilibrium shock layer radiation is assessed through comparisons with measurements. These measurements were obtained in the NASA Ames Research Center's Electric Arc Shock Tube (EAST) facility. The experiments were aimed at measuring the spatially and spectrally resolved radiance at relevant entry conditions for both an approximate Earth atmosphere (79% N2 : 21% O2 by mole) as well as a more accurate composition featuring the trace species Ar and CO2 (78.08% N2 : 20.95% O2 : 0.04% CO2 : 0.93% Ar by mole). The experiments were configured to target a wide range of conditions, of which shots from 8 to 11.5 km/s at 0.2 Torr (26.7 Pa) are examined in this paper. The non-equilibrium component was chosen to be the focus of this study as it can account for a significant percentage of the emitted radiation for Earth re-entry, and more importantly, non-equilibrium has traditionally been assigned a large uncertainty for vehicle design. The main goals of this study are to present the shock tube data in the form of a non-equilibrium metric, evaluate the level of agreement between the experiment and simulations, identify key discrepancies and to examine critical aspects of modeling non-equilibrium radiating flows. Radiance pro les integrated over discreet wavelength regions, ranging from the Vacuum Ultra Violet (VUV) through to the Near Infra-Red (NIR), were compared in order to maximize both the spectral coverage and the number of experiments that could be used in the analysis. A previously defined non-equilibrium metric has been used to allow comparisons with several shots and reveal trends in the data. Overall, LAURA/HARA is shown to under-predict EAST by as much as 40% and over-predict by as much as 12% depending on the shock speed. DPLR/NEQAIR is shown to under-predict EAST by as much as 50% and over-predict by as much as 20% depending

Effect of suprathermal electrons on the impurity ionization state

International Nuclear Information System (INIS)

Ochando, M A; Medina, F; Zurro, B; McCarthy, K J; Pedrosa, M A; Baciero, A; Rapisarda, D; Carmona, J M; Jimenez, D

2006-01-01

The effect of electron cyclotron resonance heating induced suprathermal electron tails on the ionization of iron impurities in magnetically confined plasmas is investigated. The behaviour of plasma emissivity immediately after injection provides evidence of a spatially localized 'shift' towards higher charge states of the impurity. Bearing in mind that the non-inductive plasma heating methods generate long lasting non-Maxwellian distribution functions, possible implications on the deduced impurity transport coefficients, when fast electrons are present, are discussed

Fluctuation relations for equilibrium states with broken discrete or continuous symmetries

International Nuclear Information System (INIS)

Lacoste, D; Gaspard, P

2015-01-01

Isometric fluctuation relations are deduced for the fluctuations of the order parameter in equilibrium systems of condensed-matter physics with broken discrete or continuous symmetries. These relations are similar to their analogues obtained for non-equilibrium systems where the broken symmetry is time reversal. At equilibrium, these relations show that the ratio of the probabilities of opposite fluctuations goes exponentially with the symmetry-breaking external field and the magnitude of the fluctuations. These relations are applied to the Curie–Weiss, Heisenberg, and XY models of magnetism where the continuous rotational symmetry is broken, as well as to the q-state Potts model and the p-state clock model where discrete symmetries are broken. Broken symmetries are also considered in the anisotropic Curie–Weiss model. For infinite systems, the results are calculated using large-deviation theory. The relations are also applied to mean-field models of nematic liquid crystals where the order parameter is tensorial. Moreover, their extension to quantum systems is also deduced. (paper)

Overshoot in biological systems modelled by Markov chains: a non-equilibrium dynamic phenomenon.

Science.gov (United States)

Jia, Chen; Qian, Minping; Jiang, Daquan

2014-08-01

A number of biological systems can be modelled by Markov chains. Recently, there has been an increasing concern about when biological systems modelled by Markov chains will perform a dynamic phenomenon called overshoot. In this study, the authors found that the steady-state behaviour of the system will have a great effect on the occurrence of overshoot. They showed that overshoot in general cannot occur in systems that will finally approach an equilibrium steady state. They further classified overshoot into two types, named as simple overshoot and oscillating overshoot. They showed that except for extreme cases, oscillating overshoot will occur if the system is far from equilibrium. All these results clearly show that overshoot is a non-equilibrium dynamic phenomenon with energy consumption. In addition, the main result in this study is validated with real experimental data.

Non-equilibrium mean-field theories on scale-free networks

International Nuclear Information System (INIS)

Caccioli, Fabio; Dall'Asta, Luca

2009-01-01

Many non-equilibrium processes on scale-free networks present anomalous critical behavior that is not explained by standard mean-field theories. We propose a systematic method to derive stochastic equations for mean-field order parameters that implicitly account for the degree heterogeneity. The method is used to correctly predict the dynamical critical behavior of some binary spin models and reaction–diffusion processes. The validity of our non-equilibrium theory is further supported by showing its relation with the generalized Landau theory of equilibrium critical phenomena on networks

On the forces and fluxes in non-equilibrium thermodynamics

International Nuclear Information System (INIS)

Kitahara, Kazuo

1986-01-01

A formulation of non-equilibrium thermodynamics of continuum systems based on local equilibrium assumption is reported. Thermodynamic forces are defined from a generalized local entropy and irreversible fluxes are defined as non-advective parts of fluxes of conservative quantities. The validity of the general evolution criterion and its generalization is discussed. (author)

Wall ablation of heated compound-materials into non-equilibrium discharge plasmas

Science.gov (United States)

Wang, Weizong; Kong, Linghan; Geng, Jinyue; Wei, Fuzhi; Xia, Guangqing

2017-02-01

The discharge properties of the plasma bulk flow near the surface of heated compound-materials strongly affects the kinetic layer parameters modeled and manifested in the Knudsen layer. This paper extends the widely used two-layer kinetic ablation model to the ablation controlled non-equilibrium discharge due to the fact that the local thermodynamic equilibrium (LTE) approximation is often violated as a result of the interaction between the plasma and solid walls. Modifications to the governing set of equations, to account for this effect, are derived and presented by assuming that the temperature of the electrons deviates from that of the heavy particles. The ablation characteristics of one typical material, polytetrafluoroethylene (PTFE) are calculated with this improved model. The internal degrees of freedom as well as the average particle mass and specific heat ratio of the polyatomic vapor, which strongly depends on the temperature, pressure and plasma non-equilibrium degree and plays a crucial role in the accurate determination of the ablation behavior by this model, are also taken into account. Our assessment showed the significance of including such modifications related to the non-equilibrium effect in the study of vaporization of heated compound materials in ablation controlled arcs. Additionally, a two-temperature magneto-hydrodynamic (MHD) model accounting for the thermal non-equilibrium occurring near the wall surface is developed and applied into an ablation-dominated discharge for an electro-thermal chemical launch device. Special attention is paid to the interaction between the non-equilibrium plasma and the solid propellant surface. Both the mass exchange process caused by the wall ablation and plasma species deposition as well as the associated momentum and energy exchange processes are taken into account. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The non-equilibrium results

A consistent model for the equilibrium thermodynamic functions of partially ionized flibe plasma with Coulomb corrections

International Nuclear Information System (INIS)

Zaghloul, Mofreh R.

2003-01-01

Flibe (2LiF-BeF2) is a molten salt that has been chosen as the coolant and breeding material in many design studies of the inertial confinement fusion (ICF) chamber. Flibe plasmas are to be generated in the ICF chamber in a wide range of temperatures and densities. These plasmas are more complex than the plasma of any single chemical species. Nevertheless, the composition and thermodynamic properties of the resulting flibe plasmas are needed for the gas dynamics calculations and the determination of other design parameters in the ICF chamber. In this paper, a simple consistent model for determining the detailed plasma composition and thermodynamic functions of high-temperature, fully dissociated and partially ionized flibe gas is presented and used to calculate different thermodynamic properties of interest to fusion applications. The computed properties include the average ionization state; kinetic pressure; internal energy; specific heats; adiabatic exponent, as well as the sound speed. The presented results are computed under the assumptions of local thermodynamic equilibrium (LTE) and electro-neutrality. A criterion for the validity of the LTE assumption is presented and applied to the computed results. Other attempts in the literature are assessed with their implied inaccuracies pointed out and discussed

Validation of vibration-dissociation coupling models in hypersonic non-equilibrium separated flows

Science.gov (United States)

Shoev, G.; Oblapenko, G.; Kunova, O.; Mekhonoshina, M.; Kustova, E.

2018-03-01

The validation of recently developed models of vibration-dissociation coupling is discussed in application to numerical solutions of the Navier-Stokes equations in a two-temperature approximation for a binary N2/N flow. Vibrational-translational relaxation rates are computed using the Landau-Teller formula generalized for strongly non-equilibrium flows obtained in the framework of the Chapman-Enskog method. Dissociation rates are calculated using the modified Treanor-Marrone model taking into account the dependence of the model parameter on the vibrational state. The solutions are compared to those obtained using traditional Landau-Teller and Treanor-Marrone models, and it is shown that for high-enthalpy flows, the traditional and recently developed models can give significantly different results. The computed heat flux and pressure on the surface of a double cone are in a good agreement with experimental data available in the literature on low-enthalpy flow with strong thermal non-equilibrium. The computed heat flux on a double wedge qualitatively agrees with available data for high-enthalpy non-equilibrium flows. Different contributions to the heat flux calculated using rigorous kinetic theory methods are evaluated. Quantitative discrepancy of numerical and experimental data is discussed.

Ionization effects in electronic inner-shells of ionized atoms

International Nuclear Information System (INIS)

Shchornak, G.

1983-01-01

A review of the atomic physics of ionization atoms has been presented. Interaction and structure effects in atomic shells, correlated to the occurrence of vacancies in several subshells of the atom have been considered. The methods of calculations of atomic states and wave functions have been reviewed. The energy shift of characteristic X-rays is discussed as a function of the ionization stage of the atom. The influence of inner and outer-shell vacancies on the energy of the X-rays is shown in detail. The influence of chemical effects on the parameters of X-rays is also taken into account. Further on, the change of transition probabilities in radiative and non-radiative transitions by changing stage of ionization is discussed; and among them the leading part of Auger and Coster-Kronig transitions by the arearrangement of the atomic states is shown. The influence of non-radiative electronic transitions on ionization cross-sections for multiple ionization is discussed. Using these results, ionization cross-sections for direct and indirect processes for several ionization stages are given

Non-Equilibrium Heavy Flavored Hadron Yields from Chemical Equilibrium Strangeness-Rich QGP

OpenAIRE

Kuznetsova, Inga; Rafelski, Johann

2008-01-01

The yields of heavy flavored hadrons emitted from strangeness-rich QGP are evaluated within chemical non-equilibrium statistical hadronization model, conserving strangeness, charm, and entropy yields at hadronization.

Non-Equilibrium Solidification of Undercooled Metallic Melts

Directory of Open Access Journals (Sweden)

Dieter M. Herlach

2014-06-01

Full Text Available If a liquid is undercooled below its equilibrium melting temperature an excess Gibbs free energy is created. This gives access to solidification of metastable solids under non-equilibrium conditions. In the present work, techniques of containerless processing are applied. Electromagnetic and electrostatic levitation enable to freely suspend a liquid drop of a few millimeters in diameter. Heterogeneous nucleation on container walls is completely avoided leading to large undercoolings. The freely suspended drop is accessible for direct observation of rapid solidification under conditions far away from equilibrium by applying proper diagnostic means. Nucleation of metastable crystalline phases is monitored by X-ray diffraction using synchrotron radiation during non-equilibrium solidification. While nucleation preselects the crystallographic phase, subsequent crystal growth controls the microstructure evolution. Metastable microstructures are obtained from deeply undercooled melts as supersaturated solid solutions, disordered superlattice structures of intermetallics. Nucleation and crystal growth take place by heat and mass transport. Comparative experiments in reduced gravity allow for investigations on how forced convection can be used to alter the transport processes and design materials by using undercooling and convection as process parameters.

Path-space variational inference for non-equilibrium coarse-grained systems

International Nuclear Information System (INIS)

Harmandaris, Vagelis; Kalligiannaki, Evangelia; Katsoulakis, Markos; Plecháč, Petr

2016-01-01

In this paper we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular simulations. The latter are ubiquitous in physicochemical and biological applications, where they are typically associated with coupling mechanisms, multi-physics and/or boundary conditions. In general the non-equilibrium steady states are not known explicitly as they do not necessarily have a Gibbs structure. The presented approach can compare microscopic behavior of molecular systems to parametric and non-parametric coarse-grained models using the relative entropy between distributions on the path space and setting up a corresponding path-space variational inference problem. The methods can become entirely data-driven when the microscopic dynamics are replaced with corresponding correlated data in the form of time series. Furthermore, we present connections and generalizations of force matching methods in coarse-graining with path-space information methods. We demonstrate the enhanced transferability of information-based parameterizations to different observables, at a specific thermodynamic point, due to information inequalities. We discuss methodological connections between information-based coarse-graining of molecular systems and variational inference methods primarily developed in the machine learning community. However, we note that the work presented here addresses variational inference for correlated time series due to the focus on dynamics. The applicability of the proposed methods is demonstrated on high-dimensional stochastic processes given by overdamped and driven Langevin dynamics of interacting particles.

Path-space variational inference for non-equilibrium coarse-grained systems

Energy Technology Data Exchange (ETDEWEB)

Harmandaris, Vagelis, E-mail: harman@uoc.gr [Department of Mathematics and Applied Mathematics, University of Crete (Greece); Institute of Applied and Computational Mathematics (IACM), Foundation for Research and Technology Hellas (FORTH), IACM/FORTH, GR-71110 Heraklion (Greece); Kalligiannaki, Evangelia, E-mail: ekalligian@tem.uoc.gr [Department of Mathematics and Applied Mathematics, University of Crete (Greece); Katsoulakis, Markos, E-mail: markos@math.umass.edu [Department of Mathematics and Statistics, University of Massachusetts at Amherst (United States); Plecháč, Petr, E-mail: plechac@math.udel.edu [Department of Mathematical Sciences, University of Delaware, Newark, Delaware (United States)

2016-06-01

In this paper we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular simulations. The latter are ubiquitous in physicochemical and biological applications, where they are typically associated with coupling mechanisms, multi-physics and/or boundary conditions. In general the non-equilibrium steady states are not known explicitly as they do not necessarily have a Gibbs structure. The presented approach can compare microscopic behavior of molecular systems to parametric and non-parametric coarse-grained models using the relative entropy between distributions on the path space and setting up a corresponding path-space variational inference problem. The methods can become entirely data-driven when the microscopic dynamics are replaced with corresponding correlated data in the form of time series. Furthermore, we present connections and generalizations of force matching methods in coarse-graining with path-space information methods. We demonstrate the enhanced transferability of information-based parameterizations to different observables, at a specific thermodynamic point, due to information inequalities. We discuss methodological connections between information-based coarse-graining of molecular systems and variational inference methods primarily developed in the machine learning community. However, we note that the work presented here addresses variational inference for correlated time series due to the focus on dynamics. The applicability of the proposed methods is demonstrated on high-dimensional stochastic processes given by overdamped and driven Langevin dynamics of interacting particles.

A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit Water

Science.gov (United States)

Wu, Xiongwu; Brooks, Bernard R.

2015-01-01

Chemical and thermodynamic equilibrium of multiple states is a fundamental phenomenon in biology systems and has been the focus of many experimental and computational studies. This work presents a simulation method to directly study the equilibrium of multiple states. This method constructs a virtual mixture of multiple states (VMMS) to sample the conformational space of all chemical states simultaneously. The VMMS system consists of multiple subsystems, one for each state. The subsystem contains a solute and a solvent environment. The solute molecules in all subsystems share the same conformation but have their own solvent environments. Transition between states is implicated by the change of their molar fractions. Simulation of a VMMS system allows efficient calculation of relative free energies of all states, which in turn determine their equilibrium molar fractions. For systems with a large number of state transition sites, an implicit site approximation is introduced to minimize the cost of simulation. A direct application of the VMMS method is for constant pH simulation to study protonation equilibrium. Applying the VMMS method to a heptapeptide of 3 ionizable residues, we calculated the pKas of those residues both with all explicit states and with implicit sites and obtained consistent results. For mouse epidermal growth factor of 9 ionizable groups, our VMMS simulations with implicit sites produced pKas of all 9 ionizable groups and the results agree qualitatively with NMR measurement. This example demonstrates the VMMS method can be applied to systems of a large number of ionizable groups and the computational cost scales linearly with the number of ionizable groups. For one of the most challenging systems in constant pH calculation, SNase Δ+PHS/V66K, our VMMS simulation shows that it is the state-dependent water penetration that causes the large deviation in lysine66’s pKa. PMID:26506245

A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit Water.

Directory of Open Access Journals (Sweden)

Xiongwu Wu

2015-10-01

Full Text Available Chemical and thermodynamic equilibrium of multiple states is a fundamental phenomenon in biology systems and has been the focus of many experimental and computational studies. This work presents a simulation method to directly study the equilibrium of multiple states. This method constructs a virtual mixture of multiple states (VMMS to sample the conformational space of all chemical states simultaneously. The VMMS system consists of multiple subsystems, one for each state. The subsystem contains a solute and a solvent environment. The solute molecules in all subsystems share the same conformation but have their own solvent environments. Transition between states is implicated by the change of their molar fractions. Simulation of a VMMS system allows efficient calculation of relative free energies of all states, which in turn determine their equilibrium molar fractions. For systems with a large number of state transition sites, an implicit site approximation is introduced to minimize the cost of simulation. A direct application of the VMMS method is for constant pH simulation to study protonation equilibrium. Applying the VMMS method to a heptapeptide of 3 ionizable residues, we calculated the pKas of those residues both with all explicit states and with implicit sites and obtained consistent results. For mouse epidermal growth factor of 9 ionizable groups, our VMMS simulations with implicit sites produced pKas of all 9 ionizable groups and the results agree qualitatively with NMR measurement. This example demonstrates the VMMS method can be applied to systems of a large number of ionizable groups and the computational cost scales linearly with the number of ionizable groups. For one of the most challenging systems in constant pH calculation, SNase Δ+PHS/V66K, our VMMS simulation shows that it is the state-dependent water penetration that causes the large deviation in lysine66's pKa.

A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit Water.

Science.gov (United States)

Wu, Xiongwu; Brooks, Bernard R

2015-10-01

Chemical and thermodynamic equilibrium of multiple states is a fundamental phenomenon in biology systems and has been the focus of many experimental and computational studies. This work presents a simulation method to directly study the equilibrium of multiple states. This method constructs a virtual mixture of multiple states (VMMS) to sample the conformational space of all chemical states simultaneously. The VMMS system consists of multiple subsystems, one for each state. The subsystem contains a solute and a solvent environment. The solute molecules in all subsystems share the same conformation but have their own solvent environments. Transition between states is implicated by the change of their molar fractions. Simulation of a VMMS system allows efficient calculation of relative free energies of all states, which in turn determine their equilibrium molar fractions. For systems with a large number of state transition sites, an implicit site approximation is introduced to minimize the cost of simulation. A direct application of the VMMS method is for constant pH simulation to study protonation equilibrium. Applying the VMMS method to a heptapeptide of 3 ionizable residues, we calculated the pKas of those residues both with all explicit states and with implicit sites and obtained consistent results. For mouse epidermal growth factor of 9 ionizable groups, our VMMS simulations with implicit sites produced pKas of all 9 ionizable groups and the results agree qualitatively with NMR measurement. This example demonstrates the VMMS method can be applied to systems of a large number of ionizable groups and the computational cost scales linearly with the number of ionizable groups. For one of the most challenging systems in constant pH calculation, SNase Δ+PHS/V66K, our VMMS simulation shows that it is the state-dependent water penetration that causes the large deviation in lysine66's pKa.

Spectral non-equilibrium property in homogeneous isotropic turbulence and its implication in subgrid-scale modeling

Energy Technology Data Exchange (ETDEWEB)

Fang, Le [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); Zhu, Ying [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Liu, Yangwei, E-mail: liuyangwei@126.com [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Lu, Lipeng [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China)

2015-10-09

The non-equilibrium property in turbulence is a non-negligible problem in large-eddy simulation but has not yet been systematically considered. The generalization from equilibrium turbulence to non-equilibrium turbulence requires a clear recognition of the non-equilibrium property. As a preliminary step of this recognition, the present letter defines a typical non-equilibrium process, that is, the spectral non-equilibrium process, in homogeneous isotropic turbulence. It is then theoretically investigated by employing the skewness of grid-scale velocity gradient, which permits the decomposition of resolved velocity field into an equilibrium one and a time-reversed one. Based on this decomposition, an improved Smagorinsky model is proposed to correct the non-equilibrium behavior of the traditional Smagorinsky model. The present study is expected to shed light on the future studies of more generalized non-equilibrium turbulent flows. - Highlights: • A spectral non-equilibrium process in isotropic turbulence is defined theoretically. • A decomposition method is proposed to divide a non-equilibrium turbulence field. • An improved Smagorinsky model is proposed to correct the non-equilibrium behavior.

Non-Equilibrium Relations for Bounded Rational Decision-Making in Changing Environments

Directory of Open Access Journals (Sweden)

Jordi Grau-Moya

2017-12-01

Full Text Available Living organisms from single cells to humans need to adapt continuously to respond to changes in their environment. The process of behavioural adaptation can be thought of as improving decision-making performance according to some utility function. Here, we consider an abstract model of organisms as decision-makers with limited information-processing resources that trade off between maximization of utility and computational costs measured by a relative entropy, in a similar fashion to thermodynamic systems undergoing isothermal transformations. Such systems minimize the free energy to reach equilibrium states that balance internal energy and entropic cost. When there is a fast change in the environment, these systems evolve in a non-equilibrium fashion because they are unable to follow the path of equilibrium distributions. Here, we apply concepts from non-equilibrium thermodynamics to characterize decision-makers that adapt to changing environments under the assumption that the temporal evolution of the utility function is externally driven and does not depend on the decision-maker’s action. This allows one to quantify performance loss due to imperfect adaptation in a general manner and, additionally, to find relations for decision-making similar to Crooks’ fluctuation theorem and Jarzynski’s equality. We provide simulations of several exemplary decision and inference problems in the discrete and continuous domains to illustrate the new relations.

Non-equilibrium concentration fluctuations in binary liquids with realistic boundary conditions.

Science.gov (United States)

Ortiz de Zárate, J M; Kirkpatrick, T R; Sengers, J V

2015-09-01

Because of the spatially long-ranged nature of spontaneous fluctuations in thermal non-equilibrium systems, they are affected by boundary conditions for the fluctuating hydrodynamic variables. In this paper we consider a liquid mixture between two rigid and impervious plates with a stationary concentration gradient resulting from a temperature gradient through the Soret effect. For liquid mixtures with large Lewis and Schmidt numbers, we are able to obtain explicit analytical expressions for the intensity of the non-equilibrium concentration fluctuations as a function of the frequency ω and the wave number q of the fluctuations. In addition we elucidate the spatial dependence of the intensity of the non-equilibrium fluctuations responsible for a non-equilibrium Casimir effect.

Dynamic scaling for the growth of non-equilibrium fluctuations during thermophoretic diffusion in microgravity.

Science.gov (United States)

Cerbino, Roberto; Sun, Yifei; Donev, Aleksandar; Vailati, Alberto

2015-09-30

Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture that portrays diffusion as random uncorrelated motion of molecules has been revised, when it was shown that giant non-equilibrium fluctuations develop during diffusion processes. Under microgravity conditions and at steady-state, non-equilibrium fluctuations exhibit scale invariance and their size is only limited by the boundaries of the system. In this work, we investigate the onset of non-equilibrium concentration fluctuations induced by thermophoretic diffusion in microgravity, a regime not accessible to analytical calculations but of great relevance for the understanding of several natural and technological processes. A combination of state of the art simulations and experiments allows us to attain a fully quantitative description of the development of fluctuations during transient diffusion in microgravity. Both experiments and simulations show that during the onset the fluctuations exhibit scale invariance at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length-scale of the dominant mode are determined by the thickness of the diffuse layer.

Thin films deposited by laser ablation for the measurement of the ionizing and non-ionizing radiation

International Nuclear Information System (INIS)

Villarreal B, J.E.; Escobar A, L.; Camps, E.; Romero, S.; Gonzalez, P.; Salinas, B.

2001-01-01

In this work the obtained results to synthesize thin films of amorphous carbon with incorporated nitrogen and hydrogen are presented, as well as thin films of aluminium oxide using the laser ablation technique. The thin films were exposed to ionizing radiation (gamma rays of a 60 Co source, beta radiation of a 90 Sr source) and a non-ionizing radiation (UV radiation). The obtained results show that it is possible to obtain materials in thin film form with thickness of hundreds of nanometers, which present thermoluminescent response when being irradiated with ionizing radiation and non-ionizing radiation. (Author)

Atomistic-level non-equilibrium model for chemically reactive systems based on steepest-entropy-ascent quantum thermodynamics

International Nuclear Information System (INIS)

Li, Guanchen; Al-Abbasi, Omar; Von Spakovsky, Michael R

2014-01-01

This paper outlines an atomistic-level framework for modeling the non-equilibrium behavior of chemically reactive systems. The framework called steepest- entropy-ascent quantum thermodynamics (SEA-QT) is based on the paradigm of intrinsic quantum thermodynamic (IQT), which is a theory that unifies quantum mechanics and thermodynamics into a single discipline with wide applications to the study of non-equilibrium phenomena at the atomistic level. SEA-QT is a novel approach for describing the state of chemically reactive systems as well as the kinetic and dynamic features of the reaction process without any assumptions of near-equilibrium states or weak-interactions with a reservoir or bath. Entropy generation is the basis of the dissipation which takes place internal to the system and is, thus, the driving force of the chemical reaction(s). The SEA-QT non-equilibrium model is able to provide detailed information during the reaction process, providing a picture of the changes occurring in key thermodynamic properties (e.g., the instantaneous species concentrations, entropy and entropy generation, reaction coordinate, chemical affinities, reaction rate, etc). As an illustration, the SEA-QT framework is applied to an atomistic-level chemically reactive system governed by the reaction mechanism F + H 2 ↔ FH + H

Targeted and non-targeted effects of ionizing radiation

Directory of Open Access Journals (Sweden)

Omar Desouky

2015-04-01

Full Text Available For a long time it was generally accepted that effects of ionizing radiation such as cell death, chromosomal aberrations, DNA damage, mutagenesis, and carcinogenesis result from direct ionization of cell structures, particularly DNA, or from indirect damage through reactive oxygen species produced by radiolysis of water, and these biological effects were attributed to irreparable or misrepaired DNA damage in cells directly hit by radiation. Using linear non-threshold model (LNT, possible risks from exposure to low dose ionizing radiation (below 100 mSv are estimated by extrapolating from data obtained after exposure to higher doses of radiation. This model has been challenged by numerous observations, in which cells that were not directly traversed by the ionizing radiation exhibited responses similar to those of the directly irradiated cells. Therefore, it is nowadays accepted that the detrimental effects of ionizing radiation are not restricted only in the irradiated cells, but also to non-irradiated bystander or even distant cells manifesting various biological effects.

Modeling and Control of an Ornithopter for Non-Equilibrium Maneuvers

OpenAIRE

Rose, Cameron Jarrel

2015-01-01

Flapping-winged flight is very complex, and it is difficult to efficiently model the unsteady airflow and nonlinear dynamics for online control. While steady state flight is well understood, transitions between flight regimes are not readily modeled or controlled. Maneuverability in non-equilibrium flight, which birds and insects readily exhibit in nature, is necessary to operate in the types of cluttered environments that small-scale flapping-winged robots are best suited for. The advantages...

Relation between absorbed dose, charged particle equilibrium and nuclear transformations: A non-equilibrium thermodynamics point of view

International Nuclear Information System (INIS)

Alvarez-Romero, J. T.

2006-01-01

We present a discussion to show that the absorbed dose D is a time-dependent function. This time dependence is demonstrated based on the concepts of charged particle equilibrium and on radiation equilibrium within the context of thermodynamic non-equilibrium. In the latter, the time dependence is due to changes of the rest mass energy of the nuclei and elementary particles involved in the terms ΣQ and Q that appear in the definitions of energy imparted ε and energy deposit ε i , respectively. In fact, nothing is said about the averaging operation of the non-stochastic quantity mean energy imparted ε-bar, which is used in the definition of D according to ICRU 60. It is shown in this research that the averaging operation necessary to define the ε-bar employed to get D cannot be performed with an equilibrium statistical operator ρ(r) as could be expected. Rather, the operation has to be defined with a time-dependent non-equilibrium statistical operator (r, t) therefore, D is a time-dependent function D(r, t). (authors)

Protection criteria from the non-ionizing radiations

International Nuclear Information System (INIS)

Touzet, Rodolfo E.

2004-01-01

The first objective of the protection philosophy is to determinate the relation reason-effect in order to establish the exposition thresholds to acceptable values. To establish the radioprotection criteria is important to considerate the following: a-) The damage and effects of the non-ionizing radiation; b-) The physical aspects of the fields exposition; and c-) The dosimetry of the involucrate tissues. The non-ionizing radiation includes the optics radiations (ultraviolet, visible, infrared and laser), and the electromagnetic radiations (microwave, radars, magnetic and electrostatics fields)

Non-equilibrium many body dynamics

International Nuclear Information System (INIS)

Creutz, M.; Gyulassy, M.

1997-01-01

This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop

Non-equilibrium many body dynamics

Energy Technology Data Exchange (ETDEWEB)

Creutz, M.; Gyulassy, M.

1997-09-22

This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop.

Disassembly of Faceted Macrosteps in the Step Droplet Zone in Non-Equilibrium Steady State

Directory of Open Access Journals (Sweden)

Noriko Akutsu

2017-02-01

Full Text Available A Wulff figure—the polar graph of the surface tension of a crystal—with a discontinuity was calculated by applying the density matrix renormalization group method to the p-RSOS model, a restricted solid-on-solid model with a point-contact-type step–step attraction. In the step droplet zone in this model, the surface tension is discontinuous around the (111 surface and continuous around the (001 surface. The vicinal surface of 4H-SiC crystal in a Si–Cr–C solution is thought to be in the step droplet zone. The dependence of the vicinal surface growth rate and the macrostep size 〈 n 〉 on the driving force Δ μ for a typical state in the step droplet zone in non-equilibrium steady state was calculated using the Monte Carlo method. In contrast to the known step bunching phenomenon, the size of the macrostep was found to decrease with increasing driving force. The detachment of elementary steps from a macrostep was investigated, and it was found that 〈 n 〉 satisfies a scaling function. Moreover, kinetic roughening was observed for | Δ μ | > Δ μ R , where Δ μ R is the crossover driving force above which the macrostep disappears.

Non-equilibrium scaling analysis of the Kondo model with voltage bias

International Nuclear Information System (INIS)

Fritsch, Peter; Kehrein, Stefan

2009-01-01

The quintessential description of Kondo physics in equilibrium is obtained within a scaling picture that shows the buildup of Kondo screening at low temperature. For the non-equilibrium Kondo model with a voltage bias, the key new feature are decoherence effects due to the current across the impurity. In the present paper, we show how one can develop a consistent framework for studying the non-equilibrium Kondo model within a scaling picture of infinitesimal unitary transformations (flow equations). Decoherence effects appear naturally in third order of the β-function and dominate the Hamiltonian flow for sufficiently large voltage bias. We work out the spin dynamics in non-equilibrium and compare it with finite temperature equilibrium results. In particular, we report on the behavior of the static spin susceptibility including leading logarithmic corrections and compare it with the celebrated equilibrium result as a function of temperature.

Non-equilibrium Green's functions method: Non-trivial and disordered leads

International Nuclear Information System (INIS)

He, Yu; Wang, Yu; Klimeck, Gerhard; Kubis, Tillmann

2014-01-01

The non-equilibrium Green's function algorithm requires contact self-energies to model charge injection and extraction. All existing approaches assume infinitely periodic leads attached to a possibly quite complex device. This contradicts today's realistic devices in which contacts are spatially inhomogeneous, chemically disordered, and impacting the overall device characteristics. This work extends the complex absorbing potentials method for arbitrary, ideal, or non-ideal leads in atomistic tight binding representation. The algorithm is demonstrated on a Si nanowire with periodic leads, a graphene nanoribbon with trumpet shape leads, and devices with leads of randomly alloyed Si 0.5 Ge 0.5 . It is found that alloy randomness in the leads can reduce the predicted ON-state current of Si 0.5 Ge 0.5 transistors by 45% compared to conventional lead methods

A two-temperature chemical non-equilibrium modeling of DC arc plasma

International Nuclear Information System (INIS)

Qian Haiyang; Wu Bin

2011-01-01

To a better understanding of non-equilibrium characteristics of DC arc plasma,a two-dimensional axisymmetric two-temperature chemical non-equilibrium (2T-NCE) model is applied for direct current arc argon plasma generator with water-cooled constrictor at atmospheric pressure. The results show that the electron temperature and heavy particle temperature has a relationship under different working parameters, indicating that DC arc plasma has a strong non-equilibrium characteristic, and the variation is obvious. (authors)

Biological effects of low-level ionizing and non-ionizing radiation

International Nuclear Information System (INIS)

Upton, A.C.

1986-01-01

Early in this century it was recognized that large doses of ionizing radiation could injure almost any tissue in the body, but small doses were generally thought to be harmless. By the middle of the century however it came to be suspected that even the smallest doses of ionizing radiation to the gonads might increase the risk of hereditary disease in subsequently-conceived offspring. Since then the hypothesis that carcinogenic and teratogenic effects also have no threshold has been adopted for purposes of radiological protection. It is estimated nevertheless that the risks that may be associated with natural background levels of ionizing irradiation are too small to be detectable. Hence validation of such risk estimates will depend on further elucidation of the dose-effect relationships and mechanisms of the effects in question, through studies at higher dose levels. In contrast to the situation with ionizing radiation, exposure to natural background levels of ultraviolet radiation has been implicated definitively in the etiology of skin cancers in fair-skinned individuals. Persons with inherited effects in DNA repair capacity are particularly susceptible. Non-ionizing radiations of other types can also affect health at high dose levels, but whether they can cause injury at low levels of exposure is not known

Polarization control of direct (non-sequential) two-photon double ionization of He

International Nuclear Information System (INIS)

Pronin, E A; Manakov, N L; Marmo, S I; Starace, Anthony F

2007-01-01

An ab initio parametrization of the doubly-differential cross section (DDCS) for two-photon double ionization (TPDI) from an s 2 subshell of an atom in a 1 S 0 -state is presented. Analysis of the elliptic dichroism (ED) effect in the DDCS for TPDI of He and its comparison with the same effect in the concurrent process of sequential double ionization shows their qualitative and quantitative differences, thus providing a means to control and to distinguish sequential and non-sequential processes by measuring the relative ED parameter

The study of the effects of ionizing and non-ionizing radiations on birth weight of newborns to exposed mothers.

Science.gov (United States)

Mortazavi, S M J; Shirazi, K R; Mortazavi, G

2013-01-01

Life evolved in an environment filled with a wide variety of ionizing and non-ionizing radiation. It was previously reported that medical exposures to pregnant women increases the risk of low birth weight. This study intends to investigate the relationship between exposure to ionizing and non-ionizing radiation and the risk of low birth weight. One thousand two hundred mothers with their first-term labor (vaginal or cesarean) whose newborns' history had been registered in neonates' screening program in Shiraz were interviewed and surveyed. Data collection was performed by the assessment of mother's history of radiography before and during pregnancy, physical examination of the mother for height and weight and weighing and examining the newborn for any diagnosis of disease and anomalies. There were no statistical significant differences between the mean weight of newborns whose mothers had been exposed to some common sources of ionizing and non-ionizing radiations such as dental or non dental radiographies, mobile phone, cordless phone and cathode ray tube (CRT) and those of non-exposed mothers. The findings of this study cast doubt on previous reports, which indicated that exposure to ionizing radiation during pregnancy increased the risk of low birth weight.

Post-CHF heat transfer: a non-equilibrium, relaxation model

International Nuclear Information System (INIS)

Jones, O.C. Jr.; Zuber, N.

1977-01-01

Existing phenomenological models of heat transfer in the non-equilibrium, liquid-deficient, dispersed flow regime can sometimes predict the thermal behavior fairly well but are quite complex, requiring coupled simultaneous differential equations to describe the axial gradients of mass and energy along with those of droplet acceleration and size. In addition, empirical relations are required to express the droplet breakup and increased effective heat transfer due to holdup. This report describes the development of a different approach to the problem. It is shown that the non-equilibrium component of the total energy can be expressed as a first order, inhomogeneous relaxation equation in terms of one variable coefficient termed the Superheat Relaxation number. A demonstration is provided to show that this relaxation number can be correlated using local variables in such a manner to allow the single non-equilibrium equation to accurately calculate the effects of mass velocity and heat flux along with tube length, diameter, and critical quality for equilibrium qualities from 0.13 to over 3.0

Time-dependent non-equilibrium dielectric response in QM/continuum approaches

Energy Technology Data Exchange (ETDEWEB)

Ding, Feizhi; Lingerfelt, David B.; Li, Xiaosong, E-mail: benedetta.mennucci@unipi.it, E-mail: li@chem.washington.edu [Department of Chemistry, University of Washington, Seattle, Washington 98195 (United States); Mennucci, Benedetta, E-mail: benedetta.mennucci@unipi.it, E-mail: li@chem.washington.edu [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa (Italy)

2015-01-21

The Polarizable Continuum Models (PCMs) are some of the most inexpensive yet successful methods for including the effects of solvation in quantum-mechanical calculations of molecular systems. However, when applied to the electronic excitation process, these methods are restricted to dichotomously assuming either that the solvent has completely equilibrated with the excited solute charge density (infinite-time limit), or that it retains the configuration that was in equilibrium with the solute prior to excitation (zero-time limit). This renders the traditional PCMs inappropriate for resolving time-dependent solvent effects on non-equilibrium solute electron dynamics like those implicated in the instants following photoexcitation of a solvated molecular species. To extend the existing methods to this non-equilibrium regime, we herein derive and apply a new formalism for a general time-dependent continuum embedding method designed to be propagated alongside the solute’s electronic degrees of freedom in the time domain. Given the frequency-dependent dielectric constant of the solvent, an equation of motion for the dielectric polarization is derived within the PCM framework and numerically integrated simultaneously with the time-dependent Hartree fock/density functional theory equations. Results for small molecular systems show the anticipated dipole quenching and electronic state dephasing/relaxation resulting from out-of-phase charge fluctuations in the dielectric and embedded quantum system.

Modelling Thomson scattering for systems with non-equilibrium electron distributions

Directory of Open Access Journals (Sweden)

Chapman D.A.

2013-11-01

Full Text Available We investigate the effect of non-equilibrium electron distributions in the analysis of Thomson scattering for a range of conditions of interest to inertial confinement fusion experiments. Firstly, a generalised one-component model based on quantum statistical theory is given in the random phase approximation (RPA. The Chihara expression for electron-ion plasmas is then adapted to include the new non-equilibrium electron physics. The theoretical scattering spectra for both diffuse and dense plasmas in which non-equilibrium electron distributions are expected to arise are considered. We find that such distributions strongly influence the spectra and are hence an important consideration for accurately determining the plasma conditions.

Non-equilibrium plasma chemistry at high pressure and its applications

International Nuclear Information System (INIS)

Bai Xiyao; Zhang Zhitao; Bai Mindong; Zhu Qiaoying

2000-01-01

A review is presented of research and development of gas discharge and non-equilibrium plasma including, new ideas of non-equilibrium plasma at high gas pressure. With special technology, strong electric fields (>400 Td) can be achieved by which electrons are accelerated suddenly, becoming high energy electrons (> 10 eV) at high pressure. On impact with the electrons, the gas molecules dissociate into ions, atomic ions, atoms and free radicals, and new substances or molecules can be synthesized through custom design. Chemical reaction difficult to achieve by conventional method can be realized or accelerated. Non-equilibrium plasma chemistry at high pressure has wide application prospects

Fast electrons from multi-electron dynamics in xenon clusters induced by inner-shell ionization

International Nuclear Information System (INIS)

Bostedt, Christoph; Thomas, Heiko; Hoener, Matthias; Moeller, Thomas; Saalmann, Ulf; Georgescu, Ionut; Gnodtke, Christian; Rost, Jan-Michael

2010-01-01

Fast electrons emitted from xenon clusters in strong femtosecond 90 eV pulses have been measured at the Free-electron Laser in Hamburg (FLASH). Energy absorption occurs mainly through atomic inner-shell photo-ionization. Photo-electrons are trapped in the strong Coulomb potential of the cluster ions and form a non-equilibrium plasma with supra-atomic density. Its equilibration through multiple energy-exchanging collisions within the entire cluster volume produces electrons with energies well beyond the dominant emission line of atomic xenon. Here, in contrast to traditional low-frequency laser plasma heating, the plasma gains energy from electrons delivered through massive single-photon excitation from bound states. Electron emission induced by thermalization of a non-equilibrium plasma is expected to be a general phenomenon occurring for strong atomic x-ray absorption in extended systems.

Influence of arc current and pressure on non-chemical equilibrium air arc behavior

Science.gov (United States)

Yi, WU; Yufei, CUI; Jiawei, DUAN; Hao, SUN; Chunlin, WANG; Chunping, NIU

2018-01-01

The influence of arc current and pressure on the non-chemical equilibrium (non-CE) air arc behavior of a nozzle structure was investigated based on the self-consistent non-chemical equilibrium model. The arc behavior during both the arc burning and arc decay phases were discussed at different currents and different pressures. We also devised the concept of a non-equilibrium parameter for a better understanding of non-CE effects. During the arc burning phase, the increasing current leads to a decrease of the non-equilibrium parameter of the particles in the arc core, while the increasing pressure leads to an increase of the non-equilibrium parameter of the particles in the arc core. During the arc decay phase, the non-CE effect will decrease by increasing the arc burning current and the nozzle pressure. Three factors together—convection, diffusion and chemical reactions—influence non-CE behavior.

Evaluating equilibrium and non-equilibrium transport of bromide and isoproturon in disturbed and undisturbed soil columns

Science.gov (United States)

Dousset, S.; Thevenot, M.; Pot, V.; Šimunek, J.; Andreux, F.

2007-12-01

In this study, displacement experiments of isoproturon were conducted in disturbed and undisturbed columns of a silty clay loam soil under similar rainfall intensities. Solute transport occurred under saturated conditions in the undisturbed soil and under unsaturated conditions in the sieved soil because of a greater bulk density of the compacted undisturbed soil compared to the sieved soil. The objective of this work was to determine transport characteristics of isoproturon relative to bromide tracer. Triplicate column experiments were performed with sieved (structure partially destroyed to simulate conventional tillage) and undisturbed (structure preserved) soils. Bromide experimental breakthrough curves were analyzed using convective-dispersive and dual-permeability (DP) models (HYDRUS-1D). Isoproturon breakthrough curves (BTCs) were analyzed using the DP model that considered either chemical equilibrium or non-equilibrium transport. The DP model described the bromide elution curves of the sieved soil columns well, whereas it overestimated the tailing of the bromide BTCs of the undisturbed soil columns. A higher degree of physical non-equilibrium was found in the undisturbed soil, where 56% of total water was contained in the slow-flow matrix, compared to 26% in the sieved soil. Isoproturon BTCs were best described in both sieved and undisturbed soil columns using the DP model combined with the chemical non-equilibrium. Higher degradation rates were obtained in the transport experiments than in batch studies, for both soils. This was likely caused by hysteresis in sorption of isoproturon. However, it cannot be ruled out that higher degradation rates were due, at least in part, to the adopted first-order model. Results showed that for similar rainfall intensity, physical and chemical non-equilibrium were greater in the saturated undisturbed soil than in the unsaturated sieved soil. Results also suggested faster transport of isoproturon in the undisturbed soil due

Light-induced electronic non-equilibrium in plasmonic particles.

Science.gov (United States)

Kornbluth, Mordechai; Nitzan, Abraham; Seideman, Tamar

2013-05-07

We consider the transient non-equilibrium electronic distribution that is created in a metal nanoparticle upon plasmon excitation. Following light absorption, the created plasmons decohere within a few femtoseconds, producing uncorrelated electron-hole pairs. The corresponding non-thermal electronic distribution evolves in response to the photo-exciting pulse and to subsequent relaxation processes. First, on the femtosecond timescale, the electronic subsystem relaxes to a Fermi-Dirac distribution characterized by an electronic temperature. Next, within picoseconds, thermalization with the underlying lattice phonons leads to a hot particle in internal equilibrium that subsequently equilibrates with the environment. Here we focus on the early stage of this multistep relaxation process, and on the properties of the ensuing non-equilibrium electronic distribution. We consider the form of this distribution as derived from the balance between the optical absorption and the subsequent relaxation processes, and discuss its implication for (a) heating of illuminated plasmonic particles, (b) the possibility to optically induce current in junctions, and (c) the prospect for experimental observation of such light-driven transport phenomena.

Equilibrium and non-equilibrium metal-ceramic interfaces

International Nuclear Information System (INIS)

Gao, Y.; Merkle, K.L.

1992-01-01

Metal-ceramic interfaces in thermodynamic equilibrium (Au/ZrO 2 ) and non-equilibrium (Au/MgO) have been studied by TEM and HREM. In the Au/ZrO 2 system, ZrO 2 precipitates formed by internal oxidation of a 7%Zr-Au alloy show a cubic ZrO 2 phase. It appears that formation of the cubic ZrO 2 is facilitated by alignment with the Au matrix. Most of the ZrO 2 precipitates have a perfect cube-on-cube orientation relationship with the Au matrix. The large number of interfacial steps observed in a short-time annealing experiment indicate that the precipitates are formed by the ledge growth mechanism. The lowest interfacial energy is indicated by the dominance of closed-packed [111] Au/ZrO 2 interfaces. In the Au/MgO system, composite films with small MgO smoke particles embedded in a Au matrix were prepared by a thin film technique. HREM observations show that most of the Au/MgO interfaces have a strong tendency to maintain a dense lattice structure across the interfaces irrespective of whether the interfaces are incoherent or semi-coherent. This paper reports that this indicates that there may be a relatively strong bond between MgO and Au

Transport coefficients in high-temperature ionized air flows with electronic excitation

Science.gov (United States)

Istomin, V. A.; Oblapenko, G. P.

2018-01-01

Transport coefficients are studied in high-temperature ionized air mixtures using the modified Chapman-Enskog method. The 11-component mixture N2/N2+/N /N+/O2/O2+/O /O+/N O /N O+/e- , taking into account the rotational and vibrational degrees of freedom of molecules and electronic degrees of freedom of both atomic and molecular species, is considered. Using the PAINeT software package, developed by the authors of the paper, in wide temperature range calculations of the thermal conductivity, thermal diffusion, diffusion, and shear viscosity coefficients for an equilibrium ionized air mixture and non-equilibrium flow conditions for mixture compositions, characteristic of those in shock tube experiments and re-entry conditions, are performed. For the equilibrium air case, the computed transport coefficients are compared to those obtained using simplified kinetic theory algorithms. It is shown that neglecting electronic excitation leads to a significant underestimation of the thermal conductivity coefficient at temperatures higher than 25 000 K. For non-equilibrium test cases, it is shown that the thermal diffusion coefficients of neutral species and the self-diffusion coefficients of all species are strongly affected by the mixture composition, while the thermal conductivity coefficient is most strongly influenced by the degree of ionization of the flow. Neglecting electronic excitation causes noticeable underestimation of the thermal conductivity coefficient at temperatures higher than 20 000 K.

Non-linear quantum critical dynamics and fluctuation-dissipation ratios far from equilibrium

Energy Technology Data Exchange (ETDEWEB)

Zamani, Farzaneh [Max Planck Institute for the Physics of Complex Systems, Nöthnitzer Str. 38, 01187 Dresden (Germany); Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, 01187 Dresden (Germany); Ribeiro, Pedro [CeFEMA, Instituto Superior Tcnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Russian Quantum Center, Novaya Street 100 A, Skolkovo, Moscow Area, 143025 (Russian Federation); Kirchner, Stefan, E-mail: stefan.kirchner@correlated-matter.com [Center for Correlated Matter, Zhejiang University, Hangzhou, Zhejiang 310058 (China)

2016-02-15

Non-thermal correlations of strongly correlated electron systems and the far-from-equilibrium properties of phases of condensed matter have become a topical research area. Here, an overview of the non-linear dynamics found near continuous zero-temperature phase transitions within the context of effective temperatures is presented. In particular, we focus on models of critical Kondo destruction. Such a quantum critical state, where Kondo screening is destroyed in a critical fashion, is realized in a number of rare earth intermetallics. This raises the possibility of experimentally testing for the existence of fluctuation-dissipation relations far from equilibrium in terms of effective temperatures. Finally, we present an analysis of a non-interacting, critical reference system, the pseudogap resonant level model, in terms of effective temperatures and contrast these results with those obtained near interacting quantum critical points. - Highlights: • Critical Kondo destruction explains the unusual properties of quantum critical heavy fermion compounds. • We review the concept of effective temperatures in models of critical Kondo destruction. • We compare effective temperatures found near non-interacting and fully interacting fixed points. • A comparison with non-interacting quantum impurity models is presented.

Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium

Science.gov (United States)

Liu, Yen; Panesi, Marco; Vinokur, Marcel; Clarke, Peter

2013-01-01

This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

Electrolytes: transport properties and non-equilibrium thermodynamics

International Nuclear Information System (INIS)

Miller, D.G.

1980-12-01

This paper presents a review on the application of non-equilibrium thermodynamics to transport in electrolyte solutions, and some recent experimental work and results for mutual diffusion in electrolyte solutions

Investigation on non-equilibrium performance of composite adsorbent for resorption refrigeration

International Nuclear Information System (INIS)

Jiang, L.; Wang, L.W.; Zhou, Z.S.; Zhu, F.Q.; Wang, R.Z.

2016-01-01

Highlights: • Performance of resorption refrigeration is analyzed based on non-equilibrium reaction process. • The porous matrix improves the heat and mass performance of composite adsorbent. • The actual desorption process has the significant hysteresis phenomenon. • The highest energy efficiency of Manganese and Calcium chloride working pair is 0.272. - Abstract: The aims of this paper is to indicate that the non-equilibrium adsorption testing results is more suitable for prediction of real refrigeration performance than equilibrium data. Therefore, a test unit is constructed to test the non-equilibrium performance of different composite adsorbents. The adsorption and desorption quantity are measured and calculated by smart differential pressure transmitter. The non-equilibrium adsorption performances of working pair of Manganese chloride–ammonia, Calcium chloride–ammonia and Ammonium chloride–ammonia are investigated respectively. Results show that hysteresis phenomena happens obviously in non-equilibrium desorption process, which is related with dual variables rather than single variable. Based on the testing results, resorption refrigeration performance is analyzed, in which Manganese chloride is used as high temperature salt (HTS), and Calcium chloride, Ammonium chloride are selected as low temperature salt (LTS) for comparison. Results show that the highest COP and SCP for resorption refrigeration are about 0.272 and 45.6 W/kg, respectively. Performance of Manganese chloride–Calcium chloride and Manganese chloride–Ammonium chloride working pairs are much lower when compared with theoretical data.

Non-existence of Steady State Equilibrium in the Neoclassical Growth Model with a Longevity Trend

DEFF Research Database (Denmark)

Hermansen, Mikkel Nørlem

of steady state equilibrium when considering the empirically observed trend in longevity. We extend a standard continuous time overlapping generations model by a longevity trend and are thereby able to study the properties of mortality-driven population growth. This turns out to be exceedingly complicated...

Non-equilibrium Green's functions method: Non-trivial and disordered leads

Energy Technology Data Exchange (ETDEWEB)

He, Yu, E-mail: heyuyhe@gmail.com; Wang, Yu; Klimeck, Gerhard; Kubis, Tillmann [Network for Computational Nanotechnology, Purdue University, West Lafayette, Indiana 47907 (United States)

2014-11-24

The non-equilibrium Green's function algorithm requires contact self-energies to model charge injection and extraction. All existing approaches assume infinitely periodic leads attached to a possibly quite complex device. This contradicts today's realistic devices in which contacts are spatially inhomogeneous, chemically disordered, and impacting the overall device characteristics. This work extends the complex absorbing potentials method for arbitrary, ideal, or non-ideal leads in atomistic tight binding representation. The algorithm is demonstrated on a Si nanowire with periodic leads, a graphene nanoribbon with trumpet shape leads, and devices with leads of randomly alloyed Si{sub 0.5}Ge{sub 0.5}. It is found that alloy randomness in the leads can reduce the predicted ON-state current of Si{sub 0.5}Ge{sub 0.5} transistors by 45% compared to conventional lead methods.

Non-equilibrium relaxation and near-arrest dynamics in colloidal suspensions

International Nuclear Information System (INIS)

Medina-Noyola, M; RamIrez-Gonzalez, Pedro

2009-01-01

In this work we propose a theory to describe the irreversible diffusive relaxation of the local concentration of a colloidal dispersion that proceeds toward its stable thermodynamic equilibrium state, but which may in the process be trapped in metastable or dynamically arrested states. The central assumption of this theory is that the irreversible relaxation of the macroscopically observed mean value n-bar(r,t) of the local concentration of colloidal particles is described by a diffusion equation involving a local mobility b*(r,t) that depends not only on the mean value n-bar(r,t) but also on the covariance σ(r,r';t)≡δn(r,t)δn(r',t)-bar of the fluctuations δn(r,t)≡n(r,t)-n-bar(r,t). This diffusion equation must hence be solved simultaneously with the relaxation equation for the covariance σ(r,r';t), and here we also derive the corresponding relaxation equation. The dependence of the local mobility b*(r,t) on the mean value and the covariance is determined by a self-consistent set of equations involving now the spatially and temporally non-local time-dependent correlation functions, which in a uniform system in equilibrium reduces to the self-consistent generalized Langevin equation (SCGLE) theory of colloid dynamics. The resulting general theory considers the possibility that these relaxation processes occur under the influence of external fields, such as gravitational forces acting in the process of sedimentation. In this paper, however, we describe a simpler application, in which the system remains spatially uniform during the irreversible relaxation process, and discuss the general features of the glass transition scenario predicted by this non-equilibrium theory.

Mass-density compensation can improve the performance of a range of different detectors under non-equilibrium conditions

International Nuclear Information System (INIS)

Underwood, T S A; Hill, M A; Winter, H C; Fenwick, J D

2013-01-01

Dosimeters often consist of several components whose mass densities differ substantially from water. These components cause small-field correction factors to vary significantly as lateral electronic equilibrium breaks down. Even amongst instruments designed for small-field dosimetry, inter-detector variation in the correction factors associated with very small (∼0.5 cm) fields can amount to tens of per cent. For a given dosimeter, small-field correction factors vary not only with field size but also with detector azimuthal angle and position within the field. Furthermore the accurate determination of these factors typically requires time-intensive Monte Carlo simulations. Thus, if achievable, ‘correction factor free’ small-field dosimetry would be highly desirable. This study demonstrates that a new generation of mass-density compensated detectors could take us towards this goal. Using a 6 MV beam model, it shows that ‘mass-density compensation’ can be utilized to improve the performance of a range of different detectors under small-field conditions. Non-sensitive material of appropriate mass-density is incorporated into detector designs in order to make the instruments behave as if consisting only of water. The dosimeter perturbative effects are then reduced to those associated with volume averaging. An even better solution—which modifies detectors to obtain profiles that look like those measured by a point-like water structure—is also considered. Provided that adequate sensitivity can be achieved for a small measurement volume, this study shows that it may be possible to use mass-density compensation (and Monte Carlo-driven design) to produce a solid-state dosimeter/ionization chamber with a near-perfect non-equilibrium response. (paper)

Initial conditions of non-equilibrium quark-gluon plasma evolution

International Nuclear Information System (INIS)

Shmatov, S.V.

2002-01-01

In accordance with the hydrodynamic Bjorken limit, the initial energy density and temperature for a chemical non-equilibrium quark-gluon system formed in the heavy ion collisions at the LHC are computed. The dependence of this value on the type of colliding nuclei and the collision impact parameter is studied. The principle possibility of the non-equilibrium quark-gluon plasma (QGP) formation in the light nuclei collisions is shown. The life time of QGP is calculated. (author)

Role of non-equilibrium conformations on driven polymer translocation.

Science.gov (United States)

Katkar, H H; Muthukumar, M

2018-01-14

One of the major theoretical methods in understanding polymer translocation through a nanopore is the Fokker-Planck formalism based on the assumption of quasi-equilibrium of polymer conformations. The criterion for applicability of the quasi-equilibrium approximation for polymer translocation is that the average translocation time per Kuhn segment, ⟨τ⟩/N K , is longer than the relaxation time τ 0 of the polymer. Toward an understanding of conditions that would satisfy this criterion, we have performed coarse-grained three dimensional Langevin dynamics and multi-particle collision dynamics simulations. We have studied the role of initial conformations of a polyelectrolyte chain (which were artificially generated with a flow field) on the kinetics of its translocation across a nanopore under the action of an externally applied transmembrane voltage V (in the absence of the initial flow field). Stretched (out-of-equilibrium) polyelectrolyte chain conformations are deliberately and systematically generated and used as initial conformations in translocation simulations. Independent simulations are performed to study the relaxation behavior of these stretched chains, and a comparison is made between the relaxation time scale and the mean translocation time (⟨τ⟩). For such artificially stretched initial states, ⟨τ⟩/N K polymers including single stranded DNA (ssDNA), double stranded DNA (dsDNA), and synthetic polymers. Even when these data are rescaled assuming a constant effective velocity of translocation, it is found that for flexible (ssDNA and synthetic) polymers with N K Kuhn segments, the condition ⟨τ⟩/N K polymers such as ssDNA, a crossover from quasi-equilibrium to non-equilibrium behavior would occur at N K ∼ O(1000).

Comparison between radiological protection against ionizing radiation and non ionizing radiation

International Nuclear Information System (INIS)

Jammet, H.P.

1992-01-01

Protection against IR and NIR developed in completely different ways because of the very different evolution of the techniques they involve. While as soon as 1928, the International Society of Radiology created the International Commission of Radiological Protection, we had to wait until 1977 to see the creation of the International Committee for NIR (INIRC) by IRPA. To compare protection against Ionizing Radiations and Non Ionizing Radiations we will first carry out a general analysis of its components and then we will draw the general conclusions leading to a quite comparable evolution. (author)

Comparison between radiological protection against ionizing radiation and non-ionizing radiation

International Nuclear Information System (INIS)

Jammet, H.P.

1988-01-01

The comparison of doctrines concerning protection against ionizing and non-ionizing radiation is a difficult task, because of the many areas in which it is applied. Radiological pollution has grown during the century, but its evolution has not been concomitant. This has resulted in a distortion that can be identified in the successive steps of the evaluation and protection against such radiation. For a better understanding, this discussion deals with the differences in interaction with matter and the induction of the related risks, on the varieties of protection systems and monitoring procedures

Self-assembly and transformation of hybrid nano-objects and nanostructures under equilibrium and non-equilibrium conditions

Science.gov (United States)

Mann, Stephen

2009-10-01

Understanding how chemically derived processes control the construction and organization of matter across extended and multiple length scales is of growing interest in many areas of materials research. Here we review present equilibrium and non-equilibrium self-assembly approaches to the synthetic construction of discrete hybrid (inorganic-organic) nano-objects and higher-level nanostructured networks. We examine a range of synthetic modalities under equilibrium conditions that give rise to integrative self-assembly (supramolecular wrapping, nanoscale incarceration and nanostructure templating) or higher-order self-assembly (programmed/directed aggregation). We contrast these strategies with processes of transformative self-assembly that use self-organizing media, reaction-diffusion systems and coupled mesophases to produce higher-level hybrid structures under non-equilibrium conditions. Key elements of the constructional codes associated with these processes are identified with regard to existing theoretical knowledge, and presented as a heuristic guideline for the rational design of hybrid nano-objects and nanomaterials.

Non-equilibrium umbrella sampling applied to force spectroscopy of soft matter.

Science.gov (United States)

Gao, Y X; Wang, G M; Williams, D R M; Williams, Stephen R; Evans, Denis J; Sevick, E M

2012-02-07

Physical systems often respond on a timescale which is longer than that of the measurement. This is particularly true in soft matter where direct experimental measurement, for example in force spectroscopy, drives the soft system out of equilibrium and provides a non-equilibrium measure. Here we demonstrate experimentally for the first time that equilibrium physical quantities (such as the mean square displacement) can be obtained from non-equilibrium measurements via umbrella sampling. Our model experimental system is a bead fluctuating in a time-varying optical trap. We also show this for simulated force spectroscopy on a complex soft molecule--a piston-rotaxane.

Ionizing and non-ionizing radiation and the risk of childhood cancer-illustrated with domestic radon and radio frequency electromagnetic field exposure

OpenAIRE

Hauri, Dimitri

2013-01-01

Background Children are exposed to many different environmental factors, including exposure to low-dose ionizing radiation and to non-ionizing radiation. Low-dose ionizing radiation comprises anthropogenic modified radiation and natural ionizing radiation from cosmic rays from the atmosphere, terrestrial gamma radiation from radionuclides in rocks and soils and radiation from radon. Non-ionizing radiation comprises optical radiation and radiation from electromagnetic fields. The la...

The study of the effects of ionizing and non-ionizing radiations on birth weight of newborns to exposed mothers

OpenAIRE

Mortazavi, S. M. J.; Shirazi, K. R.; Mortazavi, G.

2013-01-01

Objectives: Life evolved in an environment filled with a wide variety of ionizing and non-ionizing radiation. It was previously reported that medical exposures to pregnant women increases the risk of low birth weight. This study intends to investigate the relationship between exposure to ionizing and non-ionizing radiation and the risk of low birth weight. Materials and Methods: One thousand two hundred mothers with their first-term labor (vaginal or cesarean) whose newborns? history had been...

Identifying apparent local stable isotope equilibrium in a complex non-equilibrium system.

Science.gov (United States)

He, Yuyang; Cao, Xiaobin; Wang, Jianwei; Bao, Huiming

2018-02-28

Although being out of equilibrium, biomolecules in organisms have the potential to approach isotope equilibrium locally because enzymatic reactions are intrinsically reversible. A rigorous approach that can describe isotope distribution among biomolecules and their apparent deviation from equilibrium state is lacking, however. Applying the concept of distance matrix in graph theory, we propose that apparent local isotope equilibrium among a subset of biomolecules can be assessed using an apparent fractionation difference (|Δα|) matrix, in which the differences between the observed isotope composition (δ') and the calculated equilibrium fractionation factor (1000lnβ) can be more rigorously evaluated than by using a previous approach for multiple biomolecules. We tested our |Δα| matrix approach by re-analyzing published data of different amino acids (AAs) in potato and in green alga. Our re-analysis shows that biosynthesis pathways could be the reason for an apparently close-to-equilibrium relationship inside AA families in potato leaves. Different biosynthesis/degradation pathways in tubers may have led to the observed isotope distribution difference between potato leaves and tubers. The analysis of data from green algae does not support the conclusion that AAs are further from equilibrium in glucose-cultured green algae than in the autotrophic ones. Application of the |Δα| matrix can help us to locate potential reversible reactions or reaction networks in a complex system such as a metabolic system. The same approach can be broadly applied to all complex systems that have multiple components, e.g. geochemical or atmospheric systems of early Earth or other planets. Copyright © 2017 John Wiley & Sons, Ltd.

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.

Supersymmetric Field Theory of Non-Equilibrium Thermodynamic System

OpenAIRE

Olemskoi, Alexander I.; Brazhnyi, Valerii A.

1998-01-01

On the basis of Langevin equation the optimal SUSY field scheme is formulated to discribe a non-equilibrium thermodynamic system with quenched disorder and non-ergodicity effects. Thermodynamic and isothermal susceptibilities, memory parameter and irreversible response are determined at different temperatures and quenched disorder intensities.

Influence of Penning effect on the plasma features in a non-equilibrium atmospheric pressure plasma jet

Energy Technology Data Exchange (ETDEWEB)

Chang, Zhengshi; Zhang, Guanjun [School of Electrical Engineering, Xi' an Jiaotong University, Xi' an 710049 (China); Jiang, Nan; Cao, Zexian, E-mail: zxcao@iphy.ac.cn [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

2014-03-14

Non-equilibrium atmospheric pressure plasma jet (APPJ) is a cold plasma source that promises various innovative applications. The influence of Penning effect on the formation, propagation, and other physical properties of the plasma bullets in APPJ remains a debatable topic. By using a 10 cm wide active electrode and a frequency of applied voltage down to 0.5 Hz, the Penning effect caused by preceding discharges can be excluded. It was found that the Penning effect originating in a preceding discharge helps build a conductive channel in the gas flow and provide seed electrons, thus the discharge can be maintained at a low voltage which in turn leads to a smaller propagation speed for the plasma bullet. Photographs from an intensified charge coupled device reveal that the annular structure of the plasma plume for He is irrelevant to the Penning ionization process arising from preceding discharges. By adding NH{sub 3} into Ar to introduce Penning effect, the originally filamentous discharge of Ar can display a rather extensive plasma plume in ambient as He. These results are helpful for the understanding of the behaviors of non-equilibrium APPJs generated under distinct conditions and for the design of plasma jet features, especially the spatial distribution and propagation speed, which are essential for application.

Modeling of two-phase flow with thermal and mechanical non-equilibrium

International Nuclear Information System (INIS)

Houdayer, G.; Pinet, B.; Le Coq, G.; Reocreux, M.; Rousseau, J.C.

1977-01-01

To improve two-phase flow modeling by taking into account thermal and mechanical non-equilibrium a joint effort on analytical experiment and physical modeling has been undertaken. A model describing thermal non-equilibrium effects is first presented. A correlation of mass transfer has been developed using steam water critical flow tests. This model has been used to predict in a satisfactory manner blowdown tests. It has been incorporated in CLYSTERE system code. To take into account mechanical non-equilibrium, a six equations model is written. To get information on the momentum transfers special nitrogen-water tests have been undertaken. The first results of these studies are presented

Physics of future equilibrium state of nuclear energy utilization

International Nuclear Information System (INIS)

Sekimoto, H.

1994-01-01

The governing equations for future equilibrium nuclear state are presented and their characteristics are discussed. These equations are solved for several typical cases. In the present study on the equilibrium state, two coincidences are found. The first is the coincidence on the neutron balance performed by the nuclides satisfying the equilibrium condition. The finite neutron multiplication factor is near unity. The second is the coincidence on the toxicity. The produced long-life fission product toxicity is near the incinerated natural fuel toxicity. (author). 2 refs., 2 tabs., 4 figs

Two-temperature chemically non-equilibrium modelling of an air supersonic ICP

Energy Technology Data Exchange (ETDEWEB)

El Morsli, Mbark; Proulx, Pierre [Laboratoire de Modelisation de Procedes Chimiques par Ordinateur Oppus, Departement de Genie Chimique, Universite de Sherbrooke (Ciheam) J1K 2R1 (Canada)

2007-08-21

In this work, a non-equilibrium mathematical model for an air inductively coupled plasma torch with a supersonic nozzle is developed without making thermal and chemical equilibrium assumptions. Reaction rate equations are written, and two coupled energy equations are used, one for the calculation of the translational-rotational temperature T{sub hr} and one for the calculation of the electro-vibrational temperature T{sub ev}. The viscous dissipation is taken into account in the translational-rotational energy equation. The electro-vibrational energy equation also includes the pressure work of the electrons, the Ohmic heating power and the exchange due to elastic collision. Higher order approximations of the Chapman-Enskog method are used to obtain better accuracy for transport properties, taking advantage of the most recent sets of collisions integrals available in the literature. The results obtained are compared with those obtained using a chemical equilibrium model and a one-temperature chemical non-equilibrium model. The influence of the power and the pressure chamber on the chemical and thermal non-equilibrium is investigated.

Non-equilibrium solid-to-plasma transition dynamics using XANES diagnostic

Energy Technology Data Exchange (ETDEWEB)

Dorchies, F., E-mail: dorchies@celia.u-bordeaux1.fr [Univ. Bordeaux, CNRS, CEA, CELIA (Centre Lasers Intenses et Applications), UMR 5107, F-33400 Talence (France); Recoules, V. [CEA-DAM-DIF, F-91297 Arpajon (France)

2016-10-31

The advent of femtosecond lasers has shed new light on non-equilibrium high energy density physics. The ultrafast energy absorption by electrons and the finite rate of their energy transfer to the lattice creates non-equilibrium states of matter, triggering a new class of non-thermal processes from the ambient solid up to extreme conditions of temperature and pressure, referred as the warm dense matter regime. The dynamical interplay between electron and atomic structures is the key issue that drives the ultrafast phase transitions dynamics. Bond weakening or bond hardening are predicted, but strongly depends on the material considered. Many studies have been conducted but this physics is still poorly understood. The experimental tools used up-to-now have provided an incomplete insight. Pure optical techniques measure only indirectly atomic motion through changes in the dielectric function whereas X-ray or electron diffraction only probes the average long-range order. This review is dedicated to recent developments in time-resolved X-ray absorption near-edge spectroscopy, which is expected to give a more complete picture by probing simultaneously the modifications of the near-continuum electron and local atomic structures. Results are reported for three different types of metals (simple, transition and noble metals) in which a confrontation has been carried out between measurements and ab initio simulations.

Equilibrium and non-equilibrium dynamics simultaneously operate in the Galápagos islands.

Science.gov (United States)

Valente, Luis M; Phillimore, Albert B; Etienne, Rampal S

2015-08-01

Island biotas emerge from the interplay between colonisation, speciation and extinction and are often the scene of spectacular adaptive radiations. A common assumption is that insular diversity is at a dynamic equilibrium, but for remote islands, such as Hawaii or Galápagos, this idea remains untested. Here, we reconstruct the temporal accumulation of terrestrial bird species of the Galápagos using a novel phylogenetic method that estimates rates of biota assembly for an entire community. We show that species richness on the archipelago is in an ascending phase and does not tend towards equilibrium. The majority of the avifauna diversifies at a slow rate, without detectable ecological limits. However, Darwin's finches form an exception: they rapidly reach a carrying capacity and subsequently follow a coalescent-like diversification process. Together, these results suggest that avian diversity of remote islands is rising, and challenge the mutual exclusivity of the non-equilibrium and equilibrium ecological paradigms. © 2015 The Authors Ecology Letters published by John Wiley & Sons Ltd and CNRS.

Langmuir probe measurements in a time-fluctuating-highly ionized non-equilibrium cutting arc: Analysis of the electron retarding part of the time-averaged current-voltage characteristic of the probe

Energy Technology Data Exchange (ETDEWEB)

Prevosto, L.; Mancinelli, B. [Grupo de Descargas Eléctricas, Departamento Ing. Electromecánica, Facultad Regional Venado Tuerto (UTN), Laprida 651, Venado Tuerto (2600) Santa Fe (Argentina); Kelly, H. [Grupo de Descargas Eléctricas, Departamento Ing. Electromecánica, Facultad Regional Venado Tuerto (UTN), Laprida 651, Venado Tuerto (2600) Santa Fe (Argentina); Instituto de Física del Plasma (CONICET), Departamento de Física, Facultad de Ciencias Exactas y Naturales (UBA) Ciudad Universitaria Pab. I, 1428 Buenos Aires (Argentina)

2013-12-15

This work describes the application of Langmuir probe diagnostics to the measurement of the electron temperature in a time-fluctuating-highly ionized, non-equilibrium cutting arc. The electron retarding part of the time-averaged current-voltage characteristic of the probe was analysed, assuming that the standard exponential expression describing the electron current to the probe in collision-free plasmas can be applied under the investigated conditions. A procedure is described which allows the determination of the errors introduced in time-averaged probe data due to small-amplitude plasma fluctuations. It was found that the experimental points can be gathered into two well defined groups allowing defining two quite different averaged electron temperature values. In the low-current region the averaged characteristic was not significantly disturbed by the fluctuations and can reliably be used to obtain the actual value of the averaged electron temperature. In particular, an averaged electron temperature of 0.98 ± 0.07 eV (= 11400 ± 800 K) was found for the central core of the arc (30 A) at 3.5 mm downstream from the nozzle exit. This average included not only a time-average over the time fluctuations but also a spatial-average along the probe collecting length. The fitting of the high-current region of the characteristic using such electron temperature value together with the corrections given by the fluctuation analysis showed a relevant departure of local thermal equilibrium in the arc core.

Langmuir probe measurements in a time-fluctuating-highly ionized non-equilibrium cutting arc: Analysis of the electron retarding part of the time-averaged current-voltage characteristic of the probe

International Nuclear Information System (INIS)

Prevosto, L.; Mancinelli, B.; Kelly, H.

2013-01-01

This work describes the application of Langmuir probe diagnostics to the measurement of the electron temperature in a time-fluctuating-highly ionized, non-equilibrium cutting arc. The electron retarding part of the time-averaged current-voltage characteristic of the probe was analysed, assuming that the standard exponential expression describing the electron current to the probe in collision-free plasmas can be applied under the investigated conditions. A procedure is described which allows the determination of the errors introduced in time-averaged probe data due to small-amplitude plasma fluctuations. It was found that the experimental points can be gathered into two well defined groups allowing defining two quite different averaged electron temperature values. In the low-current region the averaged characteristic was not significantly disturbed by the fluctuations and can reliably be used to obtain the actual value of the averaged electron temperature. In particular, an averaged electron temperature of 0.98 ± 0.07 eV (= 11400 ± 800 K) was found for the central core of the arc (30 A) at 3.5 mm downstream from the nozzle exit. This average included not only a time-average over the time fluctuations but also a spatial-average along the probe collecting length. The fitting of the high-current region of the characteristic using such electron temperature value together with the corrections given by the fluctuation analysis showed a relevant departure of local thermal equilibrium in the arc core

Langmuir probe measurements in a time-fluctuating-highly ionized non-equilibrium cutting arc: analysis of the electron retarding part of the time-averaged current-voltage characteristic of the probe.

Science.gov (United States)

Prevosto, L; Kelly, H; Mancinelli, B

2013-12-01

This work describes the application of Langmuir probe diagnostics to the measurement of the electron temperature in a time-fluctuating-highly ionized, non-equilibrium cutting arc. The electron retarding part of the time-averaged current-voltage characteristic of the probe was analysed, assuming that the standard exponential expression describing the electron current to the probe in collision-free plasmas can be applied under the investigated conditions. A procedure is described which allows the determination of the errors introduced in time-averaged probe data due to small-amplitude plasma fluctuations. It was found that the experimental points can be gathered into two well defined groups allowing defining two quite different averaged electron temperature values. In the low-current region the averaged characteristic was not significantly disturbed by the fluctuations and can reliably be used to obtain the actual value of the averaged electron temperature. In particular, an averaged electron temperature of 0.98 ± 0.07 eV (= 11400 ± 800 K) was found for the central core of the arc (30 A) at 3.5 mm downstream from the nozzle exit. This average included not only a time-average over the time fluctuations but also a spatial-average along the probe collecting length. The fitting of the high-current region of the characteristic using such electron temperature value together with the corrections given by the fluctuation analysis showed a relevant departure of local thermal equilibrium in the arc core.

Non-equilibrium trajectory dynamics and the kinematics of gliding in a flying snake

International Nuclear Information System (INIS)

Socha, John J; Jafari, Farid; Miklasz, Kevin; Vlachos, Pavlos P

2010-01-01

Given sufficient space, it is possible for gliding animals to reach an equilibrium state with no net forces acting on the body. In contrast, every gliding trajectory must begin with a non-steady component, and the relative importance of this phase is not well understood. Of any terrestrial animal glider, snakes exhibit the greatest active movements, which may affect their trajectory dynamics. Our primary aim was to determine the characteristics of snake gliding during the transition to equilibrium, quantifying changes in velocity, acceleration, and body orientation in the late phase of a glide sequence. We launched 'flying' snakes (Chrysopelea paradisi) from a 15 m tower and recorded the mid-to-end portion of trajectories with four videocameras to reconstruct the snake's body position with mm to cm accuracy. Additionally, we developed a simple analytical model of gliding assuming only steady-state forces of lift, drag and weight acting on the body and used it to explore effects of wing loading, lift-to-drag ratio, and initial velocity on trajectory dynamics. Despite the vertical space provided to transition to steady-state gliding, snakes did not exhibit equilibrium gliding and in fact displayed a net positive acceleration in the vertical axis, an effect also predicted by the analytical model.

Non-equilibrium trajectory dynamics and the kinematics of gliding in a flying snake

Energy Technology Data Exchange (ETDEWEB)

Socha, John J; Jafari, Farid [Engineering Science and Mechanics, Virginia Tech, Blacksburg, VA 24061 (United States); Miklasz, Kevin [Hopkins Marine Station, Stanford University, Pacific Grove, CA 93950 (United States); Vlachos, Pavlos P, E-mail: jjsocha@vt.ed [Department of Mechanical Engineering, Virginia Tech, Blacksburg, VA 24061 (United States)

2010-12-15

Given sufficient space, it is possible for gliding animals to reach an equilibrium state with no net forces acting on the body. In contrast, every gliding trajectory must begin with a non-steady component, and the relative importance of this phase is not well understood. Of any terrestrial animal glider, snakes exhibit the greatest active movements, which may affect their trajectory dynamics. Our primary aim was to determine the characteristics of snake gliding during the transition to equilibrium, quantifying changes in velocity, acceleration, and body orientation in the late phase of a glide sequence. We launched 'flying' snakes (Chrysopelea paradisi) from a 15 m tower and recorded the mid-to-end portion of trajectories with four videocameras to reconstruct the snake's body position with mm to cm accuracy. Additionally, we developed a simple analytical model of gliding assuming only steady-state forces of lift, drag and weight acting on the body and used it to explore effects of wing loading, lift-to-drag ratio, and initial velocity on trajectory dynamics. Despite the vertical space provided to transition to steady-state gliding, snakes did not exhibit equilibrium gliding and in fact displayed a net positive acceleration in the vertical axis, an effect also predicted by the analytical model.

Non-equilibrium thermodynamics of highly rarefied neutron gas under creative and destructive reactions

International Nuclear Information System (INIS)

Hayasaka, Hideo

1978-01-01

The thermodynamic structures of non-equilibrium steady states of a highly rarefied neutron gas in various media are considered in terms of the irreversible processes due to creative and destructive reactions of neutrons with nuclei of these media and to neutrons supplied from external sources. The respective subsystems of the stationary neutron gas are regarded as imperfect equilibrium systems in the presence of the medium and the external neutron sources, and are treated like different species in a mixture. The entropy production due to neutron-nuclear reactions has a minimum value at the steady state. The distribution function of such a neutron gas is determined from the extremum condition in which entropy does not change, and is expressed as a shifted Boltzmann distribution specified by the respective values of the generalized chemical potential for each energy level. (author)

Non-equilibrium plasma reactor for natrual gas processing

International Nuclear Information System (INIS)

Shair, F.H.; Ravimohan, A.L.

1974-01-01

A non-equilibrium plasma reactor for natural gas processing into ethane and ethylene comprising means of producing a non-equilibrium chemical plasma wherein selective conversion of the methane in natural gas to desired products of ethane and ethylene at a pre-determined ethane/ethylene ratio in the chemical process may be intimately controlled and optimized at a high electrical power efficiency rate by mixing with a recycling gas inert to the chemical process such as argon, helium, or hydrogen, reducing the residence time of the methane in the chemical plasma, selecting the gas pressure in the chemical plasma from a wide range of pressures, and utilizing pulsed electrical discharge producing the chemical plasma. (author)

Charge correlation effects on ionization of weak polyelectrolytes

International Nuclear Information System (INIS)

Panagiotopoulos, A Z

2009-01-01

Ionization curves of weak polyelectrolytes were obtained as a function of the charge coupling strength from Monte Carlo simulations. In contrast to many earlier studies, the present work treats counterions explicitly, thus allowing the investigation of charge correlation effects at strong couplings. For conditions representing typical weak polyelectrolytes in water near room temperature, ionization is suppressed because of interactions between nearby dissociated groups, as also seen in prior work. A novel finding here is that, for stronger couplings, relevant for non-aqueous environments in the absence of added salt, the opposite behavior is observed-ionization is enhanced relative to the behavior of the isolated groups due to ion-counterion correlation effects. The fraction of dissociated groups as a function of position along the chain also behaves non-monotonically. Dissociation is highest near the ends of the chains for aqueous polyelectrolytes and highest at the chain middle segments for non-aqueous environments. At intermediate coupling strengths, dissociable groups appear to behave in a nearly ideal fashion, even though chain dimensions still show strong expansion effects due to ionization. These findings provide physical insights on the impact of competition between acid/base chemical equilibrium and electrostatic attractions in ionizable systems.

Human exposure to non-ionizing radiation and potential adverse health effects

International Nuclear Information System (INIS)

Vulevic, B.; Maric, B.; Zivkovic, D.

1999-01-01

The problem of protection from the non-ionizing radiation has presented an actual subject in the last twenty years both worldwide and in our country. Great attention has been paid to this problem throughout the world and there is not almost a field of human activities that disregards the effect of non-ionizing radiation to the human health.The object of this work is to point concisely, on the basis of numerous domestic and foreign referential data, to the potential adverse health effects caused by uncontrolled exposure to non-ionizing radiation. (author)

Beyond the second law entropy production and non-equilibrium systems

CERN Document Server

Lineweaver, Charles; Niven, Robert; Regenauer-Lieb, Klaus

2014-01-01

The Second Law, a cornerstone of thermodynamics, governs the average direction of dissipative, non-equilibrium processes. But it says nothing about their actual rates or the probability of fluctuations about the average. This interdisciplinary book, written and peer-reviewed by international experts, presents recent advances in the search for new non-equilibrium principles beyond the Second Law, and their applications to a wide range of systems across physics, chemistry and biology. Beyond The Second Law brings together traditionally isolated areas of non-equilibrium research and highlights potentially fruitful connections between them, with entropy production playing the unifying role. Key theoretical concepts include the Maximum Entropy Production principle, the Fluctuation Theorem, and the Maximum Entropy method of statistical inference. Applications of these principles are illustrated in such diverse fields as climatology, cosmology, crystal growth morphology, Earth system science, environmental physics, ...

Approximate method of calculation of non-equilibrium flow parameters of chemically reacting nitrogen tetroxide in the variable cross-section channels with energy exchange

International Nuclear Information System (INIS)

Bazhin, M.A.; Fedosenko, G.Eh.; Shiryaeva, N.M.; Mal'ko, M.V.

1986-01-01

It is shown that adiabatic non-equilibrium chemically reacting gas flow with energy exchange in a variable cross-section channel may be subdivided into five possible types: 1) quasi-equilibrium flow; 2) flow in the linear region of deviation from equilibrium state; 3) quasi-frozen flow; 4) flow in the linear region of deviation from frozen state; 5) non-equilibrium flow. Criteria of quasi-equilibrium and quazi-frozen flows, including factors of external action of chemically reacting gas on flow, allow to obtain simple but sufficiently reliable approximate method of calculation of flow parameters. The considered method for solving the problem of chemically reacting nitrogen tetroxide in the variable cross-section channel with energy exchange can be used for evaluation of chemical reaction kinetics on the flow parameter in the stages of axial-flow and radial-flow turbines and in another practical problems

Exposure to electromagnetic fields (non-ionizing radiation) and its relationship with childhood leukemia: A systematic review

Energy Technology Data Exchange (ETDEWEB)

Calvente, I.; Fernandez, M.F. [Laboratory of Medical Investigations, San Cecilio University Hospital, CIBER de Epidemiologia y Salud Publica (CIBERESP) (Spain); Department of Radiology, University of Granada, Granada (Spain); Villalba, J. [Department of Radiology, University of Granada, Granada (Spain); Olea, N. [Laboratory of Medical Investigations, San Cecilio University Hospital, CIBER de Epidemiologia y Salud Publica (CIBERESP) (Spain); Department of Radiology, University of Granada, Granada (Spain); Nunez, M.I., E-mail: isabeln@ugr.es [Department of Radiology, University of Granada, Granada (Spain)

2010-07-15

Childhood exposure to physical contamination, including non-ionizing radiation, has been implicated in numerous diseases, raising concerns about the widespread and increasing sources of exposure to this type of radiation. The primary objective of this review was to analyze the current state of knowledge on the association between environmental exposure to non-ionizing radiation and the risk of childhood leukemia. Scientific publications between 1979 and 2008 that include examination of this association have been reviewed using the MEDLINE/PubMed database. Studies to date have not convincingly confirmed or ruled out an association between non-ionizing radiation and the risk of childhood leukemia. Discrepancies among the conclusions of the studies may also be influenced by confounding factors, selection bias, and misclassification. Childhood defects can result from genetic or epigenetic damage and from effects on the embryo or fetus, which may both be related to environmental exposure of the parent before conception or during the pregnancy. It is therefore critical for researchers to define a priori the type and 'window' of exposure to be assessed. Methodological problems to be solved include the proper diagnostic classification of individuals and the estimated exposure to non-ionizing radiation, which may act through various mechanisms of action. There appears to be an urgent need to reconsider exposure limits for low frequency and static magnetic fields, based on combined experimental and epidemiological research into the relationship between exposure to non-ionizing radiation and adverse human health effects.

Exposure to electromagnetic fields (non-ionizing radiation) and its relationship with childhood leukemia: a systematic review.

Science.gov (United States)

Calvente, I; Fernandez, M F; Villalba, J; Olea, N; Nuñez, M I

2010-07-15

Childhood exposure to physical contamination, including non-ionizing radiation, has been implicated in numerous diseases, raising concerns about the widespread and increasing sources of exposure to this type of radiation. The primary objective of this review was to analyze the current state of knowledge on the association between environmental exposure to non-ionizing radiation and the risk of childhood leukemia. Scientific publications between 1979 and 2008 that include examination of this association have been reviewed using the MEDLINE/PubMed database. Studies to date have not convincingly confirmed or ruled out an association between non-ionizing radiation and the risk of childhood leukemia. Discrepancies among the conclusions of the studies may also be influenced by confounding factors, selection bias, and misclassification. Childhood defects can result from genetic or epigenetic damage and from effects on the embryo or fetus, which may both be related to environmental exposure of the parent before conception or during the pregnancy. It is therefore critical for researchers to define a priori the type and "window" of exposure to be assessed. Methodological problems to be solved include the proper diagnostic classification of individuals and the estimated exposure to non-ionizing radiation, which may act through various mechanisms of action. There appears to be an urgent need to reconsider exposure limits for low frequency and static magnetic fields, based on combined experimental and epidemiological research into the relationship between exposure to non-ionizing radiation and adverse human health effects.

Exposure to electromagnetic fields (non-ionizing radiation) and its relationship with childhood leukemia: A systematic review

International Nuclear Information System (INIS)

Calvente, I.; Fernandez, M.F.; Villalba, J.; Olea, N.; Nunez, M.I.

2010-01-01

Childhood exposure to physical contamination, including non-ionizing radiation, has been implicated in numerous diseases, raising concerns about the widespread and increasing sources of exposure to this type of radiation. The primary objective of this review was to analyze the current state of knowledge on the association between environmental exposure to non-ionizing radiation and the risk of childhood leukemia. Scientific publications between 1979 and 2008 that include examination of this association have been reviewed using the MEDLINE/PubMed database. Studies to date have not convincingly confirmed or ruled out an association between non-ionizing radiation and the risk of childhood leukemia. Discrepancies among the conclusions of the studies may also be influenced by confounding factors, selection bias, and misclassification. Childhood defects can result from genetic or epigenetic damage and from effects on the embryo or fetus, which may both be related to environmental exposure of the parent before conception or during the pregnancy. It is therefore critical for researchers to define a priori the type and 'window' of exposure to be assessed. Methodological problems to be solved include the proper diagnostic classification of individuals and the estimated exposure to non-ionizing radiation, which may act through various mechanisms of action. There appears to be an urgent need to reconsider exposure limits for low frequency and static magnetic fields, based on combined experimental and epidemiological research into the relationship between exposure to non-ionizing radiation and adverse human health effects.

Non-additive dissipation in open quantum networks out of equilibrium

Science.gov (United States)

Mitchison, Mark T.; Plenio, Martin B.

2018-03-01

We theoretically study a simple non-equilibrium quantum network whose dynamics can be expressed and exactly solved in terms of a time-local master equation. Specifically, we consider a pair of coupled fermionic modes, each one locally exchanging energy and particles with an independent, macroscopic thermal reservoir. We show that the generator of the asymptotic master equation is not additive, i.e. it cannot be expressed as a sum of contributions describing the action of each reservoir alone. Instead, we identify an additional interference term that generates coherences in the energy eigenbasis, associated with the current of conserved particles flowing in the steady state. Notably, non-additivity arises even for wide-band reservoirs coupled arbitrarily weakly to the system. Our results shed light on the non-trivial interplay between multiple thermal noise sources in modular open quantum systems.

Memory loss process and non-Gibbsian equilibrium solutions of master equations

International Nuclear Information System (INIS)

Cataldo, H.M.; Hernandez, E.S.

1988-01-01

The phonon dynamics of a harmonic oscillator coupled to a steady reservoir is studied. In the Markovian limit, the equilibrium is reached through a progressive loss of memory process which involves the moments of the initial distribution. The relationship to the non-Markovian equations of motion and its resolvent poles is settled. As a particular model of the coupling mechanism is adopted, the possibility of non-Gibbsian equilibrium distribution arises, which is analyzed focusing upon the dependence of various parameters of the system on an effective equilibrium temperature

Reaction networks as systems for resource allocation: a variational principle for their non-equilibrium steady states.

Directory of Open Access Journals (Sweden)

Andrea De Martino

Full Text Available Within a fully microscopic setting, we derive a variational principle for the non-equilibrium steady states of chemical reaction networks, valid for time-scales over which chemical potentials can be taken to be slowly varying: at stationarity the system minimizes a global function of the reaction fluxes with the form of a Hopfield Hamiltonian with hebbian couplings, that is explicitly seen to correspond to the rate of decay of entropy production over time. Guided by this analogy, we show that reaction networks can be formally re-cast as systems of interacting reactions that optimize the use of the available compounds by competing for substrates, akin to agents competing for a limited resource in an optimal allocation problem. As an illustration, we analyze the scenario that emerges in two simple cases: that of toy (random reaction networks and that of a metabolic network model of the human red blood cell.

A phase-field model for non-equilibrium solidification of intermetallics

International Nuclear Information System (INIS)

Assadi, H.

2007-01-01

Intermetallics may exhibit unique solidification behaviour-including slow growth kinetics, anomalous partitioning and formation of unusual growth morphologies-because of departure from local equilibrium. A phase-field model is developed and used to illustrate these non-equilibrium effects in solidification of a prototype B2 intermetallic phase. The model takes sublattice compositions as primary field variables, from which chemical long-range order is derived. The diffusive reactions between the two sublattices, and those between each sublattice and the liquid phase are taken as 'internal' kinetic processes, which take place within control volumes of the system. The model can thus capture solute and disorder trapping effects, which are consistent-over a wide range of the solid/liquid interface thickness-with the predictions of the sharp-interface theory of solute and disorder trapping. The present model can also take account of solid-state ordering and thus illustrate the effects of chemical ordering on microstructure formation and crystal growth kinetics

Physics of partially ionized plasmas

CERN Document Server

Krishan, Vinod

2016-01-01

Plasma is one of the four fundamental states of matter; the other three being solid, liquid and gas. Several components, such as molecular clouds, diffuse interstellar gas, the solar atmosphere, the Earth's ionosphere and laboratory plasmas, including fusion plasmas, constitute the partially ionized plasmas. This book discusses different aspects of partially ionized plasmas including multi-fluid description, equilibrium and types of waves. The discussion goes on to cover the reionization phase of the universe, along with a brief description of high discharge plasmas, tokomak plasmas and laser plasmas. Various elastic and inelastic collisions amongst the three particle species are also presented. In addition, the author demonstrates the novelty of partially ionized plasmas using many examples; for instance, in partially ionized plasma the magnetic induction is subjected to the ambipolar diffusion and the Hall effect, as well as the usual resistive dissipation. Also included is an observation of kinematic dynam...

Flux Jacobian Matrices For Equilibrium Real Gases

Science.gov (United States)

Vinokur, Marcel

1990-01-01

Improved formulation includes generalized Roe average and extension to three dimensions. Flux Jacobian matrices derived for use in numerical solutions of conservation-law differential equations of inviscid flows of ideal gases extended to real gases. Real-gas formulation of these matrices retains simplifying assumptions of thermodynamic and chemical equilibrium, but adds effects of vibrational excitation, dissociation, and ionization of gas molecules via general equation of state.

Convection with local thermal non-equilibrium and microfluidic effects

CERN Document Server

Straughan, Brian

2015-01-01

This book is one of the first devoted to an account of theories of thermal convection which involve local thermal non-equilibrium effects, including a concentration on microfluidic effects. The text introduces convection with local thermal non-equilibrium effects in extraordinary detail, making it easy for readers newer to the subject area to understand. This book is unique in the fact that it addresses a large number of convection theories and provides many new results which are not available elsewhere. This book will be useful to researchers from engineering, fluid mechanics, and applied mathematics, particularly those interested in microfluidics and porous media.

Replacing leads by self-energies using non-equilibrium Green's functions

International Nuclear Information System (INIS)

Michael, Fredrick; Johnson, M.D.

2003-01-01

Open quantum systems consist of semi-infinite leads which transport electrons to and from the device of interest. We show here that within the non-equilibrium Green's function technique for continuum systems, the leads can be replaced by simple c-number self-energies. Our starting point is an approach for continuum systems developed by Feuchtwang. The reformulation developed here is simpler to understand and carry out than the somewhat unwieldly manipulations typical in the Feuchtwang method. The self-energies turn out to have a limited variability: the retarded self-energy Σ r depends on the arbitrary choice of internal boundary conditions, but the non-equilibrium self-energy or scattering function Σ which determines transport is invariant for a broad class of boundary conditions. Expressed in terms of these self-energies, continuum non-equilibrium transport calculations take a particularly simple form similar to that developed for discrete systems

Non-equilibrium reaction rates in chemical kinetic equations

Science.gov (United States)

Gorbachev, Yuriy

2018-05-01

Within the recently proposed asymptotic method for solving the Boltzmann equation for chemically reacting gas mixture, the chemical kinetic equations has been derived. Corresponding one-temperature non-equilibrium reaction rates are expressed in terms of specific heat capacities of the species participate in the chemical reactions, bracket integrals connected with the internal energy transfer in inelastic non-reactive collisions and energy transfer coefficients. Reactions of dissociation/recombination of homonuclear and heteronuclear diatomic molecules are considered. It is shown that all reaction rates are the complex functions of the species densities, similarly to the unimolecular reaction rates. For determining the rate coefficients it is recommended to tabulate corresponding bracket integrals, additionally to the equilibrium rate constants. Correlation of the obtained results with the irreversible thermodynamics is established.

Adaptive behaviour and multiple equilibrium states in a predator-prey model.

Science.gov (United States)

Pimenov, Alexander; Kelly, Thomas C; Korobeinikov, Andrei; O'Callaghan, Michael J A; Rachinskii, Dmitrii

2015-05-01

There is evidence that multiple stable equilibrium states are possible in real-life ecological systems. Phenomenological mathematical models which exhibit such properties can be constructed rather straightforwardly. For instance, for a predator-prey system this result can be achieved through the use of non-monotonic functional response for the predator. However, while formal formulation of such a model is not a problem, the biological justification for such functional responses and models is usually inconclusive. In this note, we explore a conjecture that a multitude of equilibrium states can be caused by an adaptation of animal behaviour to changes of environmental conditions. In order to verify this hypothesis, we consider a simple predator-prey model, which is a straightforward extension of the classic Lotka-Volterra predator-prey model. In this model, we made an intuitively transparent assumption that the prey can change a mode of behaviour in response to the pressure of predation, choosing either "safe" of "risky" (or "business as usual") behaviour. In order to avoid a situation where one of the modes gives an absolute advantage, we introduce the concept of the "cost of a policy" into the model. A simple conceptual two-dimensional predator-prey model, which is minimal with this property, and is not relying on odd functional responses, higher dimensionality or behaviour change for the predator, exhibits two stable co-existing equilibrium states with basins of attraction separated by a separatrix of a saddle point. Copyright © 2015 Elsevier Inc. All rights reserved.

Information Geometry of Non-Equilibrium Processes in a Bistable System with a Cubic Damping

Directory of Open Access Journals (Sweden)

Rainer Hollerbach

2017-06-01

Full Text Available A probabilistic description is essential for understanding the dynamics of stochastic systems far from equilibrium, given uncertainty inherent in the systems. To compare different Probability Density Functions (PDFs, it is extremely useful to quantify the difference among different PDFs by assigning an appropriate metric to probability such that the distance increases with the difference between the two PDFs. This metric structure then provides a key link between stochastic systems and information geometry. For a non-equilibrium process, we define an infinitesimal distance at any time by comparing two PDFs at times infinitesimally apart and sum these distances in time. The total distance along the trajectory of the system quantifies the total number of different states that the system undergoes in time and is called the information length. By using this concept, we investigate the information geometry of non-equilibrium processes involved in disorder-order transitions between the critical and subcritical states in a bistable system. Specifically, we compute time-dependent PDFs, information length, the rate of change in information length, entropy change and Fisher information in disorder-to-order and order-to-disorder transitions and discuss similarities and disparities between the two transitions. In particular, we show that the total information length in order-to-disorder transition is much larger than that in disorder-to-order transition and elucidate the link to the drastically different evolution of entropy in both transitions. We also provide the comparison of the results with those in the case of the transition between the subcritical and supercritical states and discuss implications for fitness.

Non-equilibrium Microwave Plasma for Efficient High Temperature Chemistry.

Science.gov (United States)

van den Bekerom, Dirk; den Harder, Niek; Minea, Teofil; Gatti, Nicola; Linares, Jose Palomares; Bongers, Waldo; van de Sanden, Richard; van Rooij, Gerard

2017-08-01

A flowing microwave plasma based methodology for converting electric energy into internal and/or translational modes of stable molecules with the purpose of efficiently driving non-equilibrium chemistry is discussed. The advantage of a flowing plasma reactor is that continuous chemical processes can be driven with the flexibility of startup times in the seconds timescale. The plasma approach is generically suitable for conversion/activation of stable molecules such as CO2, N2 and CH4. Here the reduction of CO2 to CO is used as a model system: the complementary diagnostics illustrate how a baseline thermodynamic equilibrium conversion can be exceeded by the intrinsic non-equilibrium from high vibrational excitation. Laser (Rayleigh) scattering is used to measure the reactor temperature and Fourier Transform Infrared Spectroscopy (FTIR) to characterize in situ internal (vibrational) excitation as well as the effluent composition to monitor conversion and selectivity.

Non-equilibrium thermodynamical description of rhythmic motion patterns of active systems: a canonical-dissipative approach.

Science.gov (United States)

Dotov, D G; Kim, S; Frank, T D

2015-02-01

We derive explicit expressions for the non-equilibrium thermodynamical variables of a canonical-dissipative limit cycle oscillator describing rhythmic motion patterns of active systems. These variables are statistical entropy, non-equilibrium internal energy, and non-equilibrium free energy. In particular, the expression for the non-equilibrium free energy is derived as a function of a suitable control parameter. The control parameter determines the Hopf bifurcation point of the deterministic active system and describes the effective pumping of the oscillator. In analogy to the equilibrium free energy of the Landau theory, it is shown that the non-equilibrium free energy decays as a function of the control parameter. In doing so, a similarity between certain equilibrium and non-equilibrium phase transitions is pointed out. Data from an experiment on human rhythmic movements is presented. Estimates for pumping intensity as well as the thermodynamical variables are reported. It is shown that in the experiment the non-equilibrium free energy decayed when pumping intensity was increased, which is consistent with the theory. Moreover, pumping intensities close to zero could be observed at relatively slow intended rhythmic movements. In view of the Hopf bifurcation underlying the limit cycle oscillator model, this observation suggests that the intended limit cycle movements were actually more similar to trajectories of a randomly perturbed stable focus. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Precipitation in as-solidified undercooled Ni-Si hypoeutectic alloy: Effect of non-equilibrium solidification

Energy Technology Data Exchange (ETDEWEB)

Fan Kai [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Liu Feng, E-mail: liufeng@nwpu.edu.cn [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Yang Gencang; Zhou Yaohe [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China)

2011-08-25

Highlights: {yields} The solid solubility of Si atom in {alpha}-Ni matrix increased with undercooling in the as-solidified sample. {yields} The effect of non-equilibrium solidification on precipitation has been theoretically described. {yields} The nucleation density, the real-time particle size and the precipitation rate are all increased upon annealing. {yields} The precipitate process can be artificially controlled by modifying the initial melt undercooling and the annealing time. - Abstract: Applying glass fluxing and cyclic superheating, high undercooling up to {approx}350 K was achieved for Ni-Si hypoeutectic alloy melt. By isothermally annealing the as-solidified alloy subjected to different undercoolings, precipitation behavior of Ni{sub 3}Si particle, at 973 K, was systematically studied. It was found that, the nucleation density and the real-time particle size, as well as the precipitation rate, were all increased, provided the sample was solidified subjected to higher undercooling. This was ascribed mainly to the increased solid solubility of Si atom in {alpha}-Ni matrix upon non-equilibrium solidification. On this basis, the non-equilibrium dendrite growth upon solidification and the soft impingement prevailing upon solid-state precipitation have been quantitatively connected. As such, the effect of liquid/solid transformation on subsequent precipitation was described.

Precipitation in as-solidified undercooled Ni-Si hypoeutectic alloy: Effect of non-equilibrium solidification

International Nuclear Information System (INIS)

Fan Kai; Liu Feng; Yang Gencang; Zhou Yaohe

2011-01-01

Highlights: → The solid solubility of Si atom in α-Ni matrix increased with undercooling in the as-solidified sample. → The effect of non-equilibrium solidification on precipitation has been theoretically described. → The nucleation density, the real-time particle size and the precipitation rate are all increased upon annealing. → The precipitate process can be artificially controlled by modifying the initial melt undercooling and the annealing time. - Abstract: Applying glass fluxing and cyclic superheating, high undercooling up to ∼350 K was achieved for Ni-Si hypoeutectic alloy melt. By isothermally annealing the as-solidified alloy subjected to different undercoolings, precipitation behavior of Ni 3 Si particle, at 973 K, was systematically studied. It was found that, the nucleation density and the real-time particle size, as well as the precipitation rate, were all increased, provided the sample was solidified subjected to higher undercooling. This was ascribed mainly to the increased solid solubility of Si atom in α-Ni matrix upon non-equilibrium solidification. On this basis, the non-equilibrium dendrite growth upon solidification and the soft impingement prevailing upon solid-state precipitation have been quantitatively connected. As such, the effect of liquid/solid transformation on subsequent precipitation was described.

One-loop calculation in time-dependent non-equilibrium thermo field dynamics

International Nuclear Information System (INIS)

Umezawa, H.; Yamanaka, Y.

1989-01-01

This paper is a review on the structure of thermo field dynamics (TFD) in which the basic concepts such as the thermal doublets, the quasi-particles and the self-consistent renormalization are presented in detail. A strong emphasis is put on the computational scheme. A detailed structure of this scheme is illustrated by the one-loop calculation in a non-equilibrium time-dependent process. A detailed account of the one-loop calculation has never been reported anywhere. The role of the self-consistent renormalization is explained. The equilibrium TFD is obtained as the long-time limit of non-equilibrium TFD. (author)

The non ionizing radiations; Les rayonnements non ionisants

Energy Technology Data Exchange (ETDEWEB)

Vecchia, P. [Institut National de la Sante, Lab. de Physique, Rome (Italy); Souques, M. [Electricite de France (EDF), Service des Etudes Medicales, 75 - Paris (France); Lambrozo, J. [EDF/GDF, Service des Etudes Medicales, 75 - Paris (France)] [and others

2003-07-01

The biological effects of non ionizing radiations are studied in this part. The magnetic fields and the cardiac implants, melatonin secretion among the electricians exposed to magnetic fields of 50 hz, the effects of electromagnetic fields in professional medium, evaluation of the effect of an exposure to a signal of a mobile phone (GSM 900) on the skin are the different subjects discussed. (N.C.)

Three-dimensional classical-ensemble modeling of non-sequential double ionization

International Nuclear Information System (INIS)

Haan, S.L.; Breen, L.; Tannor, D.; Panfili, R.; Ho, Phay J.; Eberly, J.H.

2005-01-01

Full text: We have been using 1d ensembles of classical two-electron atoms to simulate helium atoms that are exposed to pulses of intense laser radiation. In this talk we discuss the challenges in setting up a 3d classical ensemble that can mimic the quantum ground state of helium. We then report studies in which each one of 500,000 two-electron trajectories is followed in 3d through a ten-cycle (25 fs) 780 nm laser pulse. We examine double-ionization yield for various intensities, finding the familiar knee structure. We consider the momentum spread of outcoming electrons in directions both parallel and perpendicular to the direction of laser polarization, and find results that are consistent with experiment. We examine individual trajectories and recollision processes that lead to double ionization, considering the best phases of the laser cycle for recollision events and looking at the possible time delay between recollision and emergence. We consider also the number of recollision events, and find that multiple recollisions are common in the classical ensemble. We investigate which collisional processes lead to various final electron momenta. We conclude with comments regarding the ability of classical mechanics to describe non-sequential double ionization, and a quick summary of similarities and differences between 1d and 3d classical double ionization using energy-trajectory comparisons. Refs. 3 (author)

Decomposition of thermal-equilibrium states

International Nuclear Information System (INIS)

Gu Lei

2010-01-01

It is shown that a thermal-equilibrium state can be decomposed into a tensor product of the operators in subspaces of single-particle energy. On the basis of this form, a straightforward derivation of the Fermi-Dirac and the Bose-Einstein distribution is performed. The derivation can be generalized for systems with weak interaction to obtain an approximate distribution in momentum.

Multiphoton ionization of H+2 at critical internuclear separations: non-Hermitian Floquet analysis

International Nuclear Information System (INIS)

Likhatov, P V; Telnov, D A

2009-01-01

We present ab initio time-dependent non-Hermitian Floquet calculations of multiphoton ionization (MPI) rates of hydrogen molecular ions subject to an intense linearly polarized monochromatic laser field with a wavelength of 800 nm. The orientation of the molecular axis is parallel to the polarization vector of the laser field. The MPI rates are computed for a wide range of internuclear separations R with high resolution in R and reproduce resonance and near-threshold structures. We show that enhancement of ionization at critical internuclear separations is related to resonance series with higher electronic states. The effect of two-centre interference on the MPI signal is discussed.

Non-equilibrium magnetic interactions in strongly correlated systems

Energy Technology Data Exchange (ETDEWEB)

Secchi, A., E-mail: a.secchi@science.ru.nl [Institute for Molecules and Materials, Radboud University Nijmegen, 6525 AJ Nijmegen (Netherlands); Brener, S.; Lichtenstein, A.I. [Institut für Theoretische Physik, Universitat Hamburg, Jungiusstraße 9, D-20355 Hamburg (Germany); Katsnelson, M.I. [Institute for Molecules and Materials, Radboud University Nijmegen, 6525 AJ Nijmegen (Netherlands)

2013-06-15

We formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin dynamics. We derive expressions for dynamical exchange parameters in terms of non-equilibrium electronic Green functions and self-energies, which can be computed, e.g., with the methods of time-dependent dynamical mean-field theory. Moreover, we find that a correct description of the system requires, in addition to exchange, a new kind of magnetic interaction, that we name twist exchange, which formally resembles Dzyaloshinskii–Moriya coupling, but is not due to spin–orbit, and is actually due to an effective three-spin interaction. Our theory allows the evaluation of the related time-dependent parameters as well. -- Highlights: •We develop a theory for magnetism of strongly correlated systems out of equilibrium. •Our theory is suitable for laser-induced ultrafast magnetization dynamics. •We write time-dependent exchange parameters in terms of electronic Green functions. •We find a new magnetic interaction, a “twist exchange”. •We give general expressions for magnetic noise in itinerant-electron systems.

Possibilities to reduce the effect of ionizing radiation by interaction of two types of radiation into a matter: ionized and non-ionized radiation

International Nuclear Information System (INIS)

Tanvir

2007-01-01

Full text: At present it has been accepted that ionized radiation can cause biological effects on the human body and the only way of preventing this effect, is by shielding the source of radiation by absorbing materials. On the other hand, the technology of non-ionizing radiation is upgraded. The canalization of radiation through the wave-guide based structures and optical fiber is well established. This reminds us that passing through benzene non-ionized radiation give the 'Raman' effect, which can ensure the secondary generation of non-ionized radiation with the wave length of nanometer and so far. These types of non-ionized radiation can easily be correlated with the gamma radiation, which is ionized. We know that high-energized photon usually interacts with matter and reduces its energy to the matter and generate electro-magnetic waves into the molecules of the matter. It is also well known that through the wave-guide based structures and optical fiber; the path of energy distribution of photon is likely to be optical energetic modes. If two types of photon from two types of radiation (ionized and non-ionized) interact with matter and pass through the optical fiber, they can generate optical modes with various wavelengths and phase velocities. With 'Raman' effect we can generate secondary electromagnetic waves of nanometer; as well as optical modes into the optical fiber. These optical modes from two types of radiation with various phase velocities, having the similar wavelength, can decrease or accelerate some modes. On the view of signal distribution, we can assume that if two similar signals pass through the circuit with phase difference 180P 0 P, then the result posses no signal. We are also reminded that photon of γ - radiation can spread from 0 deg. to 180 deg. C, where the 'Compton' loss of radiation is minimum. In view of the electro-magnetic theory of Maxwell we can assume the energetic field of optical modes, which are generated into the optical

One-group constant libraries for nuclear equilibrium state

Energy Technology Data Exchange (ETDEWEB)

Mizutani, Akihiko; Sekimoto, Hiroshi [Tokyo Inst. of Tech. (Japan). Research Lab. for Nuclear Reactors

1997-03-01

One-group constant libraries for the nuclear equilibrium state were generated for both liquid sodium cooled MOX fuel type fast reactor and PWR type thermal reactor with Equilibrium Cell Iterative Calculation System (ECICS) using JENDL-3.2, -3, -2 and ENDF/B-VI nuclear data libraries. ECICS produced one-group constant sets for 129 heavy metal nuclides and 1238 fission products. (author)

Extension of CE/SE method to non-equilibrium dissociating flows

KAUST Repository

Wen, C.Y.

2017-12-08

In this study, the hypersonic non-equilibrium flows over rounded nose geometries are numerically investigated by a robust conservation element and solution element (CE/SE) code, which is based on hybrid meshes consisting of triangular and quadrilateral elements. The dissociating and recombination chemical reactions as well as the vibrational energy relaxation are taken into account. The stiff source terms are solved by an implicit trapezoidal method of integration. Comparison with laboratory and numerical cases are provided to demonstrate the accuracy and reliability of the present CE/SE code in simulating hypersonic non-equilibrium flows.

A Comparison of the Computation Times of Thermal Equilibrium and Non-equilibrium Models of Droplet Field in a Two-Fluid Three-Field Model

Energy Technology Data Exchange (ETDEWEB)

Park, Ik Kyu; Cho, Heong Kyu; Kim, Jong Tae; Yoon, Han Young; Jeong, Jae Jun

2007-12-15

A computational model for transient, 3 dimensional 2 phase flows was developed by using 'unstructured-FVM-based, non-staggered, semi-implicit numerical scheme' considering the thermally non-equilibrium droplets. The assumption of the thermally equilibrium between liquid and droplets of previous studies was not used any more, and three energy conservation equations for vapor, liquid, liquid droplets were set up. Thus, 9 conservation equations for mass, momentum, and energy were established to simulate 2 phase flows. In this report, the governing equations and a semi-implicit numerical sheme for a transient 1 dimensional 2 phase flows was described considering the thermally non-equilibrium between liquid and liquid droplets. The comparison with the previous model considering the thermally non-equilibrium between liquid and liquid droplets was also reported.

Targeted and non-targeted effects of ionizing radiation

OpenAIRE

Omar Desouky; Nan Ding; Guangming Zhou

2015-01-01

For a long time it was generally accepted that effects of ionizing radiation such as cell death, chromosomal aberrations, DNA damage, mutagenesis, and carcinogenesis result from direct ionization of cell structures, particularly DNA, or from indirect damage through reactive oxygen species produced by radiolysis of water, and these biological effects were attributed to irreparable or misrepaired DNA damage in cells directly hit by radiation. Using linear non-threshold model (LNT), possible ris...

Relations between dissipated work in non-equilibrium process and the family of Rényi divergences

International Nuclear Information System (INIS)

Wei, Bo-Bo; Plenio, M B

2017-01-01

In this paper, we establish a general relation which directly links the dissipated work done on a system driven arbitrarily far from equilibrium, a fundamental quantity in thermodynamics, and the family of Rényi divergences between two states along the forward and reversed dynamics, a fundamental concept in information theory. Specifically, we find that the generating function of the dissipated work under an arbitrary time-dependent driving is related to the family of Rényi divergences between a non-equilibrium state along the forward process and a non-equilibrium state along its time-reversed process. This relation is a consequence of the principle of conservation of information and time reversal symmetry and is universally applicable to both finite classical system and finite quantum system under arbitrary driving process. The significance of the relation between the generating function of dissipated work and the family of Rényi divergences are two fold. On the one hand, the relation establishes that the macroscopic entropy production and its fluctuations are determined by the family of Rényi divergences, a measure of distinguishability of two states, between a microscopic process and its time reversal. On the other hand, this relation tells us that we can extract the family of Renyi divergences from the work measurement in a microscopic process. For classical systems the work measurement is straightforward, from which the family of Rényi divergences can be obtained; for quantum systems under time-dependent driving the characteristic function of work distributions can be measured from Ramsey interferences of a single spin, then we can extract the family of Renyi divergences from Ramsey interferences of a single spin. (paper)

Non-equilibrium assembly of microtubules: from molecules to autonomous chemical robots.

Science.gov (United States)

Hess, H; Ross, Jennifer L

2017-09-18

Biological systems have evolved to harness non-equilibrium processes from the molecular to the macro scale. It is currently a grand challenge of chemistry, materials science, and engineering to understand and mimic biological systems that have the ability to autonomously sense stimuli, process these inputs, and respond by performing mechanical work. New chemical systems are responding to the challenge and form the basis for future responsive, adaptive, and active materials. In this article, we describe a particular biochemical-biomechanical network based on the microtubule cytoskeletal filament - itself a non-equilibrium chemical system. We trace the non-equilibrium aspects of the system from molecules to networks and describe how the cell uses this system to perform active work in essential processes. Finally, we discuss how microtubule-based engineered systems can serve as testbeds for autonomous chemical robots composed of biological and synthetic components.

Thermal non-equilibrium in porous medium adjacent to vertical plate: ANN approach

Science.gov (United States)

Ahmed, N. J. Salman; Ahamed, K. S. Nazim; Al-Rashed, Abdullah A. A. A.; Kamangar, Sarfaraz; Athani, Abdulgaphur

2018-05-01

Thermal non-equilibrium in porous medium is a condition that refers to temperature discrepancy in solid matrix and fluid of porous medium. This type of flow is complex flow requiring complex set of partial differential equations that govern the flow behavior. The current work is undertaken to predict the thermal non-equilibrium behavior of porous medium adjacent to vertical plate using artificial neural network. A set of neurons in 3 layers are trained to predict the heat transfer characteristics. It is found that the thermal non-equilibrium heat transfer behavior in terms of Nusselt number of fluid as well as solid phase can be predicted accurately by using well-trained neural network.

Some recent developments in non-equilibrium statistical physics

Indian Academy of Sciences (India)

: ... This canonical prescription is the starting point for studying a system in ... abilistic approach to non-equilibrium dynamics by treating the case of Markovian ..... equation in this network between the incoming flux and the outgoing flux at each.

Three-dimensional stellarator equilibrium as an ohmic steady state

International Nuclear Information System (INIS)

Park, W.; Monticello, D.A.; Strauss, H.; Manickam, J.

1985-07-01

A stable three-dimensional stellarator equilibrium can be obtained numerically by a time-dependent relaxation method using small values of dissipation. The final state is an ohmic steady state which approaches an ohmic equilibrium in the limit of small dissipation coefficients. We describe a method to speed up the relaxation process and a method to implement the B vector . del p = 0 condition. These methods are applied to obtain three-dimensional heliac equilibria using the reduced heliac equations

A field-theoretic approach to non-equilibrium work identities

International Nuclear Information System (INIS)

Mallick, Kirone; Orland, Henri; Moshe, Moshe

2011-01-01

We study non-equilibrium work relations for a space-dependent field with stochastic dynamics (model A). Jarzynski's equality is obtained through symmetries of the dynamical action in the path-integral representation. We derive a set of exact identities that generalize the fluctuation-dissipation relations to non-stationary and far-from-equilibrium situations. These identities are prone to experimental verification. Furthermore, we show that a well-studied invariance of the Langevin equation under supersymmetry, which is known to be broken when the external potential is time dependent, can be partially restored by adding to the action a term which is precisely Jarzynski's work. The work identities can then be retrieved as consequences of the associated Ward-Takahashi identities.

Choking flow modeling with mechanical and thermal non-equilibrium

Energy Technology Data Exchange (ETDEWEB)

Yoon, H.J.; Ishii, M.; Revankar, S.T. [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States)

2006-01-15

The mechanistic model, which considers the mechanical and thermal non-equilibrium, is described for two-phase choking flow. The choking mass flux is obtained from the momentum equation with the definition of choking. The key parameter for the mechanical non-equilibrium is a slip ratio. The dependent parameters for the slip ratio are identified. In this research, the slip ratio which is defined in the drift flux model is used to identify the impact parameters on the slip ratio. Because the slip ratio in the drift flux model is related to the distribution parameter and drift velocity, the adequate correlations depending on the flow regime are introduced in this study. For the thermal non-equilibrium, the model is developed with bubble conduction time and Bernoulli choking model. In case of highly subcooled water compared to the inlet pressure, the Bernoulli choking model using the pressure undershoot is used because there is no bubble generation in the test section. When the phase change happens inside the test section, two-phase choking model with relaxation time calculates the choking mass flux. According to the comparison of model prediction with experimental data shows good agreement. The developed model shows good prediction in both low and high pressure ranges. (author)

Elliptic flow from non-equilibrium initial condition with a saturation scale

International Nuclear Information System (INIS)

Ruggieri, M.; Scardina, F.; Plumari, S.; Greco, V.

2013-01-01

A current goal of relativistic heavy-ion collisions experiments is the search for a Color Glass Condensate (CGC) as the limiting state of QCD matter at very high density. In viscous hydrodynamics simulations, a standard Glauber initial condition leads to estimate 4πη/s∼1, while employing the Kharzeev–Levin–Nardi (KLN) modeling of the glasma leads to at least a factor of 2 larger η/s. Within a kinetic theory approach based on a relativistic Boltzmann-like transport simulation, our main result is that the out-of-equilibrium initial distribution reduces the efficiency in building-up the elliptic flow. At RHIC energy we find the available data on v 2 are in agreement with a 4πη/s∼1 also for KLN initial conditions. More generally, our study shows that the initial non-equilibrium in p-space can have a significant impact on the build-up of anisotropic flow

Non-equilibrium and band tailing in organic conductors

Indian Academy of Sciences (India)

. Non-equilibrium ... Introduction. Study of organic conductors and semiconductors continues to generate interest with the ... Band tailing reduces band gap or the acti- ..... (9), we can identify Eg(0) with the focal point and is proportional to P2. 1 .

Non-melanoma skin cancer in relation to ionizing and ultraviolet radiation among radiologic technologists in the United States

International Nuclear Information System (INIS)

Yoshinaga, S.; Hauptmann, M.; Sigurdson, A.J.; Doody, M.M.; Freedman, D.M.; Linet, M.S.; Ron, E.; Mabuchi, K.

2003-01-01

Ionizing and ultraviolet (UV) radiations are known to increase the risk of non-melanoma skin cancer. However, the effect of chronic or protracted exposure to ionizing radiation and the modifying effect of UV exposure on skin cancer risk are not well defined. We evaluated risk of basal cell carcinoma (BCC) and squamous cell carcinoma (SCC) of the skin among radiologic technologists in the United States. A total of 1,355 incident cases with BCC and 270 with SCC were ascertained in 65,304 white technologists between the baseline questionnaire survey in 1983-1989 and the follow-up survey in 1994-1998. Analysis by Cox's proportional hazard model, stratified by birth cohort and adjusted for potential confounders including pigmentation characteristics (skin complexion, eye and hair color) and estimated index of residential UV exposure, indicated significantly increased relative risks for BCC, but not for SCC, among early technologists who likely had high radiation exposure. Relative risks of BCC were 1.42 (95% CI: 1.12-1.79), 2.04 (95% CI: 1.44-2.88), and 2.17 (95% CI: 1.14-4.10) among those who first worked in the 1950s, 1940s, and before 1940, respectively (p for trend: <0.01), compared with technologists who first worked after 1960. The effects of ionizing radiation on BCC were not significantly modified by UV exposure (p for effect modification: 0.31), but they were modified by eye and hair color (p=0.01 and 0.03), with light eye or hair color conferring a higher radiation-related risk. In contrast, relative risks of both BCC and SCC significantly increased with increasing residential UV exposure index, and no modifying effects of pigmentation characteristics were observed. This study provides evidence of increased BCC risk associated with chronic, occupational exposure to a low-to-moderate level of ionizing radiation, which may be modified by pigmentation characteristics

A framework for modelling gene regulation which accommodates non-equilibrium mechanisms.

Science.gov (United States)

Ahsendorf, Tobias; Wong, Felix; Eils, Roland; Gunawardena, Jeremy

2014-12-05

Gene regulation has, for the most part, been quantitatively analysed by assuming that regulatory mechanisms operate at thermodynamic equilibrium. This formalism was originally developed to analyse the binding and unbinding of transcription factors from naked DNA in eubacteria. Although widely used, it has made it difficult to understand the role of energy-dissipating, epigenetic mechanisms, such as DNA methylation, nucleosome remodelling and post-translational modification of histones and co-regulators, which act together with transcription factors to regulate gene expression in eukaryotes. Here, we introduce a graph-based framework that can accommodate non-equilibrium mechanisms. A gene-regulatory system is described as a graph, which specifies the DNA microstates (vertices), the transitions between microstates (edges) and the transition rates (edge labels). The graph yields a stochastic master equation for how microstate probabilities change over time. We show that this framework has broad scope by providing new insights into three very different ad hoc models, of steroid-hormone responsive genes, of inherently bounded chromatin domains and of the yeast PHO5 gene. We find, moreover, surprising complexity in the regulation of PHO5, which has not yet been experimentally explored, and we show that this complexity is an inherent feature of being away from equilibrium. At equilibrium, microstate probabilities do not depend on how a microstate is reached but, away from equilibrium, each path to a microstate can contribute to its steady-state probability. Systems that are far from equilibrium thereby become dependent on history and the resulting complexity is a fundamental challenge. To begin addressing this, we introduce a graph-based concept of independence, which can be applied to sub-systems that are far from equilibrium, and prove that history-dependent complexity can be circumvented when sub-systems operate independently. As epigenomic data become increasingly

Calculating zeros: Non-equilibrium free energy calculations

International Nuclear Information System (INIS)

Oostenbrink, Chris; Gunsteren, Wilfred F. van

2006-01-01

Free energy calculations on three model processes with theoretically known free energy changes have been performed using short simulation times. A comparison between equilibrium (thermodynamic integration) and non-equilibrium (fast growth) methods has been made in order to assess the accuracy and precision of these methods. The three processes have been chosen to represent processes often observed in biomolecular free energy calculations. They involve a redistribution of charges, the creation and annihilation of neutral particles and conformational changes. At very short overall simulation times, the thermodynamic integration approach using discrete steps is most accurate. More importantly, reasonable accuracy can be obtained using this method which seems independent of the overall simulation time. In cases where slow conformational changes play a role, fast growth simulations might have an advantage over discrete thermodynamic integration where sufficient sampling needs to be obtained at every λ-point, but only if the initial conformations do properly represent an equilibrium ensemble. From these three test cases practical lessons can be learned that will be applicable to biomolecular free energy calculations

Non-equilibrium between ions and electrons inside hot spots from National Ignition Facility experiments

Directory of Open Access Journals (Sweden)

Zhengfeng Fan

2017-01-01

Full Text Available The non-equilibrium between ions and electrons in the hot spot can relax the ignition conditions in inertial confinement fusion [Fan et al., Phys. Plasmas 23, 010703 (2016], and obvious ion-electron non-equilibrium could be observed by our simulations of high-foot implosions when the ion-electron relaxation is enlarged by a factor of 2. On the other hand, in many shots of high-foot implosions on the National Ignition Facility, the observed X-ray enhancement factors due to ablator mixing into the hot spot are less than unity assuming electrons and ions have the same temperature [Meezan et al., Phys. Plasmas 22, 062703 (2015], which is not self-consistent because it can lead to negative ablator mixing into the hot spot. Actually, this non-consistency implies ion-electron non-equilibrium within the hot spot. From our study, we can infer that ion-electron non-equilibrium exists in high-foot implosions and the ion temperature could be ∼9% larger than the equilibrium temperature in some NIF shots.

Lateral interactions and non-equilibrium in surface kinetics

Science.gov (United States)

Menzel, Dietrich

2016-08-01

Work modelling reactions between surface species frequently use Langmuir kinetics, assuming that the layer is in internal equilibrium, and that the chemical potential of adsorbates corresponds to that of an ideal gas. Coverage dependences of reacting species and of site blocking are usually treated with simple power law coverage dependences (linear in the simplest case), neglecting that lateral interactions are strong in adsorbate and co-adsorbate layers which may influence kinetics considerably. My research group has in the past investigated many co-adsorbate systems and simple reactions in them. We have collected a number of examples where strong deviations from simple coverage dependences exist, in blocking, promoting, and selecting reactions. Interactions can range from those between next neighbors to larger distances, and can be quite complex. In addition, internal equilibrium in the layer as well as equilibrium distributions over product degrees of freedom can be violated. The latter effect leads to non-equipartition of energy over molecular degrees of freedom (for products) or non-equal response to those of reactants. While such behavior can usually be described by dynamic or kinetic models, the deeper reasons require detailed theoretical analysis. Here, a selection of such cases is reviewed to exemplify these points.

Non-equilibrium statistical thermodynamics of neutron gas in reactor

International Nuclear Information System (INIS)

Hayasaka, Hideo

1977-01-01

The thermodynamic structures of non-equilibrium steady states of highly rarefied neutron gas in various media are considered for the irreversible processes owing to creative and destructive reactions of neutrons with nuclei of these media and supply from the external sources. Under the so-called clean and cold condition in reactor, the medium is regarded virtually as offering the different chemical potential fields for each subsystem of a steady neutron gas system. The fluctuations around a steady state are considered in a Markovian-Gaussian process. The generalized Einstein relations are derived for stationary neutron gas systems. The forces and flows of neutron gases in a medium are defined upon the general stationary solution of the Fokker-Planck equation. There exist the symmetry of the kinetic coefficients, and the minimum entropy production upon neutron-nuclear reactions. The distribution functions in various media are determined by each corresponding extremum condition under the vanishing of changes of the respective total entropies in the Gibbs equation. (auth.)

Two-temperature chemically non-equilibrium modelling of transferred arcs

International Nuclear Information System (INIS)

Baeva, M; Kozakov, R; Gorchakov, S; Uhrlandt, D

2012-01-01

A two-temperature chemically non-equilibrium model describing in a self-consistent manner the heat transfer, the plasma chemistry, the electric and magnetic field in a high-current free-burning arc in argon has been developed. The model is aimed at unifying the description of a thermionic tungsten cathode, a flat copper anode, and the arc plasma including the electrode sheath regions. The heat transfer in the electrodes is coupled to the plasma heat transfer considering the energy fluxes onto the electrode boundaries with the plasma. The results of the non-equilibrium model for an arc current of 200 A and an argon flow rate of 12 slpm are presented along with results obtained from a model based on the assumption of local thermodynamic equilibrium (LTE) and from optical emission spectroscopy. The plasma shows a near-LTE behaviour along the arc axis and in a region surrounding the axis which becomes wider towards the anode. In the near-electrode regions, a large deviation from LTE is observed. The results are in good agreement with experimental findings from optical emission spectroscopy. (paper)

Ward identity for non-equilibrium Fermi systems

Czech Academy of Sciences Publication Activity Database

Velický, B.; Kalvová, Anděla; Špička, Václav

2008-01-01

Roč. 77, č. 4 (2008), 041201/1-041201/4 ISSN 1098-0121 R&D Projects: GA ČR GC202/07/J051 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521 Keywords : non-equilibrium * Green’s functions * quantum transport equations * Ward identity Subject RIV: BE - Theoretical Physics Impact factor: 3.322, year: 2008

The Kibble-Zurek mechanism in phase transitions of non-equilibrium systems

Science.gov (United States)

Cheung, Hil F. H.; Patil, Yogesh S.; Date, Aditya G.; Vengalattore, Mukund

2017-04-01

We experimentally realize a driven-dissipative phase transition using a mechanical parametric amplifier to demonstrate key signatures of a second order phase transition, including a point where the susceptibilities and relaxation time scales diverge, and where the system exhibits a spontaneous breaking of symmetry. Though reminiscent of conventional equilibrium phase transitions, it is unclear if such driven-dissipative phase transitions are amenable to the conventional Landau-Ginsburg-Wilson paradigm, which relies on concepts of scale invariance and universality, and recent work has shown that such phase transitions can indeed lie beyond such conventional universality classes. By quenching the system past the critical point, we investigate the dynamics of the emergent ordered phase and find that our measurements are in excellent agreement with the Kibble-Zurek mechanism. In addition to verifying the Kibble-Zurek hypothesis in driven-dissipative phase transitions for the first time, we also demonstrate that the measured critical exponents accurately reflect the interplay between intrinsic coherent dynamics and environmental correlations, showing a clear departure from mean field exponents in the case of non-Markovian system-bath interactions. We further discuss how reservoir engineering and the imposition of artificial environmental correlations can result in the stabilization of novel many-body quantum phases and aid in the creation of exotic non-equilibrium states of matter.

Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach

Science.gov (United States)

Xu, Dazhi; Cao, Jianshu

2016-08-01

The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic modes. This concept has been developed into a useful method to treat open quantum systems with a complete range of system-bath coupling strength. Especially, the polaron transformation approach shows its validity in the intermediate coupling regime, in which the Redfield equation or Fermi's golden rule will fail. In the polaron frame, the equilibrium distribution carried out by perturbative expansion presents a deviation from the canonical distribution, which is beyond the usual weak coupling assumption in thermodynamics. A polaron transformed Redfield equation (PTRE) not only reproduces the dissipative quantum dynamics but also provides an accurate and efficient way to calculate the non-equilibrium steady states. Applications of the PTRE approach to problems such as exciton diffusion, heat transport and light-harvesting energy transfer are presented.

Non-equilibrium thermodynamics of radiation-induced processes in solids

International Nuclear Information System (INIS)

Yurov, V.M.; Eshchanov, A.N.; Kuketaev, A.T.; Sidorenya, Yu.S.

2005-01-01

In the paper an item about a defect system response in solids on external action (temperature, pressure, light, etc.) from the point of view of non-equilibrium statistical thermodynamics is considered

Comparative study of the use of non-ionizing and ionizing radiation in the cure of epoxy resin: microwave versus electron electron

Energy Technology Data Exchange (ETDEWEB)

Kersting, Daniel, E-mail: daniel.kersting@usp.br [Centro Tecnologico da Marinha em Sao Paulo (CTMSP/USP), Sao Paulo, SP (Brazil); Wiebeck, Helio, E-mail: hwiebeck@usp.br [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Escola Politecnica. Dept. de Engenharia Metalurgica; Marinucci, Gerson; Silva, Leonardo G.A. e, E-mail: marinuci@ipen.br, E-mail: gasilva@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

2013-07-01

Several processes for curing epoxy resins were developed over the years. Two methods are discussed in this paper, in order to present the main advantages and disadvantages of using microwave radiation (non-ionizing radiation) and electron beam radiation (ionizing radiation). The microwave radiation is a non-ionizing radiation, with great power of penetration and transfer of heat in microwave absorbing materials, or materials with microwave absorbing fillers. The frequency usually used in research and development is 2.45 GHz, the same available in commercial equipment. The microwave effect provides increase on the collision velocity between the reactant which, combined with energy absorbed by the reaction system, accelerates the curing reaction. None modifications in the epoxy system are required to use microwave heating for the curing process.On the other hand, the electron beam is a form of ionizing radiation in which the high energy electrons have the ability to interact with the irradiated material and produce ions, free radicals, and molecules in excited state, which can be used to initiate and propagate a polymerization. Specific initiators are necessary for an effective cure of the resin. In this study, a DGEBA epoxy resin with initiators based on anhydride and amine was used under the same conditions indicated by the manufacturer. The curing of the catalyzed system was performed in a domestic microwave oven adapted for laboratory use. The degradation and glass transition temperatures were evaluated by thermal analysis techniques. For comparative purposes, it was used data available in the literature for electron beam irradiation. (author)

Comparative study of the use of non-ionizing and ionizing radiation in the cure of epoxy resin: microwave versus electron electron

International Nuclear Information System (INIS)

Kersting, Daniel; Wiebeck, Helio

2013-01-01

Several processes for curing epoxy resins were developed over the years. Two methods are discussed in this paper, in order to present the main advantages and disadvantages of using microwave radiation (non-ionizing radiation) and electron beam radiation (ionizing radiation). The microwave radiation is a non-ionizing radiation, with great power of penetration and transfer of heat in microwave absorbing materials, or materials with microwave absorbing fillers. The frequency usually used in research and development is 2.45 GHz, the same available in commercial equipment. The microwave effect provides increase on the collision velocity between the reactant which, combined with energy absorbed by the reaction system, accelerates the curing reaction. None modifications in the epoxy system are required to use microwave heating for the curing process.On the other hand, the electron beam is a form of ionizing radiation in which the high energy electrons have the ability to interact with the irradiated material and produce ions, free radicals, and molecules in excited state, which can be used to initiate and propagate a polymerization. Specific initiators are necessary for an effective cure of the resin. In this study, a DGEBA epoxy resin with initiators based on anhydride and amine was used under the same conditions indicated by the manufacturer. The curing of the catalyzed system was performed in a domestic microwave oven adapted for laboratory use. The degradation and glass transition temperatures were evaluated by thermal analysis techniques. For comparative purposes, it was used data available in the literature for electron beam irradiation. (author)

Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces.

Science.gov (United States)

Spezia, Riccardo; Martínez-Nuñez, Emilio; Vazquez, Saulo; Hase, William L

2017-04-28

In this Introduction, we show the basic problems of non-statistical and non-equilibrium phenomena related to the papers collected in this themed issue. Over the past few years, significant advances in both computing power and development of theories have allowed the study of larger systems, increasing the time length of simulations and improving the quality of potential energy surfaces. In particular, the possibility of using quantum chemistry to calculate energies and forces 'on the fly' has paved the way to directly study chemical reactions. This has provided a valuable tool to explore molecular mechanisms at given temperatures and energies and to see whether these reactive trajectories follow statistical laws and/or minimum energy pathways. This themed issue collects different aspects of the problem and gives an overview of recent works and developments in different contexts, from the gas phase to the condensed phase to excited states.This article is part of the themed issue 'Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces'. © 2017 The Author(s).

Discussions on the non-equilibrium effects in the quantitative phase field model of binary alloys

International Nuclear Information System (INIS)

Zhi-Jun, Wang; Jin-Cheng, Wang; Gen-Cang, Yang

2010-01-01

All the quantitative phase field models try to get rid of the artificial factors of solutal drag, interface diffusion and interface stretch in the diffuse interface. These artificial non-equilibrium effects due to the introducing of diffuse interface are analysed based on the thermodynamic status across the diffuse interface in the quantitative phase field model of binary alloys. Results indicate that the non-equilibrium effects are related to the negative driving force in the local region of solid side across the diffuse interface. The negative driving force results from the fact that the phase field model is derived from equilibrium condition but used to simulate the non-equilibrium solidification process. The interface thickness dependence of the non-equilibrium effects and its restriction on the large scale simulation are also discussed. (cross-disciplinary physics and related areas of science and technology)

Critical dynamics a field theory approach to equilibrium and non-equilibrium scaling behavior

CERN Document Server

Täuber, Uwe C

2014-01-01

Introducing a unified framework for describing and understanding complex interacting systems common in physics, chemistry, biology, ecology, and the social sciences, this comprehensive overview of dynamic critical phenomena covers the description of systems at thermal equilibrium, quantum systems, and non-equilibrium systems. Powerful mathematical techniques for dealing with complex dynamic systems are carefully introduced, including field-theoretic tools and the perturbative dynamical renormalization group approach, rapidly building up a mathematical toolbox of relevant skills. Heuristic and qualitative arguments outlining the essential theory behind each type of system are introduced at the start of each chapter, alongside real-world numerical and experimental data, firmly linking new mathematical techniques to their practical applications. Each chapter is supported by carefully tailored problems for solution, and comprehensive suggestions for further reading, making this an excellent introduction to critic...

Non-ionizing radiations : physical characteristics, biological effects and health hazard assessment

International Nuclear Information System (INIS)

Repacholi, M.H.

1988-01-01

The Workshop was a project of the International Non-Ionizing Radiation Committee of IRPA and comprised a series of educational lectures and demonstrations intended to give a comprehensive overview of non-ionizing electromagnetic radiation: physical characteristics, sources of concern, levels of exposure, mechanisms of interaction and reported effects of these fields and radiations with biological tissues, human studies, health risk assessment, national and international standards and guidelines, and protective measures

Level population measurements on analyte atom and ion excited states in the inductively coupled plasma

International Nuclear Information System (INIS)

Walker, Z.H.; Blades, M.W.

1986-01-01

During the past decade a number of publications dealing with fundamental studies of the inductively coupled plasma (ICP) have appeared in the literature. The purpose of many of these investigations has been to understand the nature of the interaction between the plasma gas and the analyte. The general conclusion drawn from these studies has been that the ICP is very close to Local Thermodynamic Equilibrium (LTE), but that some deviations from LTE do occur. Recent studies by the authors' have been directed towards the measurement of analyte atom and ion excited state level populations with the objective of obtaining a better understanding of both ionization and excitation in the ICP discharge and the extent to which such processes contribute to a non-equilibrium state. Further discussion is drawn from similar measurements made on elements with low ionization potentials, such as Barium, as well as on elements such as Iron in the presence of Easily Ionizable Elements (EIE's). The spatial and power dependences of such measurements are also discussed

Non-equilibrium flow and sediment transport distribution over mobile river dunes

Science.gov (United States)

Hoitink, T.; Naqshband, S.; McElroy, B. J.

2017-12-01

Flow and sediment transport are key processes in the morphodynamics of river dunes. During floods in several rivers (e.g., the Elkhorn, Missouri, Niobrara, and Rio Grande), dunes are observed to grow rapidly as flow strength increases, undergoing an unstable transition regime, after which they are washed out in what is called upper stage plane bed. This morphological evolution of dunes to upper stage plane bed is the strongest bed-form adjustment during non-equilibrium flows and is associated with a significant change in hydraulic roughness and water levels. Detailed experimental investigations, however, have mostly focused on fixed dunes limited to equilibrium flow and bed conditions that are rare in natural channels. Our understanding of the underlying sedimentary processes that result into the washing out of dunes is therefore very limited. In the present study, using the Acoustic Concentration and Velocity Profiler (ACVP), we were able to quantify flow structure and sediment transport distribution over mobile non-equilibrium dunes. Under these non-equilibrium flow conditions average dune heights were decreasing while dune lengths were increasing. Preliminary results suggest that this morphological behaviour is due to a positive phase lag between sediment transport maximum and topographic maximum leading to a larger erosion on the dune stoss side compared to deposition on dune lee side.

Chemical kinetics and relaxation of non-equilibrium air plasma generated by energetic photon and electron beams

International Nuclear Information System (INIS)

Maulois, Melissa; Ribière, Maxime; Eichwald, Olivier; Yousfi, Mohammed; Azaïs, Bruno

2016-01-01

The comprehension of electromagnetic perturbations of electronic devices, due to air plasma-induced electromagnetic field, requires a thorough study on air plasma. In the aim to understand the phenomena at the origin of the formation of non-equilibrium air plasma, we simulate, using a volume average chemical kinetics model (0D model), the time evolution of a non-equilibrium air plasma generated by an energetic X-ray flash. The simulation is undertaken in synthetic air (80% N_2 and 20% O_2) at ambient temperature and atmospheric pressure. When the X-ray flash crosses the gas, non-relativistic Compton electrons (low energy) and a relativistic Compton electron beam (high energy) are simultaneously generated and interact with the gas. The considered chemical kinetics scheme involves 26 influent species (electrons, positive ions, negative ions, and neutral atoms and molecules in their ground or metastable excited states) reacting following 164 selected reactions. The kinetics model describing the plasma chemistry was coupled to the conservation equation of the electron mean energy, in order to calculate at each time step of the non-equilibrium plasma evolution, the coefficients of reactions involving electrons while the energy of the heavy species (positive and negative ions and neutral atoms and molecules) is assumed remaining close to ambient temperature. It has been shown that it is the relativistic Compton electron beam directly created by the X-ray flash which is mainly responsible for the non-equilibrium plasma formation. Indeed, the low energy electrons (i.e., the non-relativistic ones) directly ejected from molecules by Compton collisions contribute to less than 1% on the creation of electrons in the plasma. In our simulation conditions, a non-equilibrium plasma with a low electron mean energy close to 1 eV and a concentration of charged species close to 10"1"3" cm"−"3 is formed a few nanoseconds after the peak of X-ray flash intensity. 200 ns after the

Behavior of Triple Langmuir Probes in Non-Equilibrium Plasmas

Science.gov (United States)

Polzin, Kurt A.; Ratcliffe, Alicia C.

2018-01-01

main Maxwellian distribution (the bump-on-the-tail distribution function). For a range of parameters in these non-Maxwellian distributions, we compute the current collection to the probes. We compare the distribution function that was assumed a priori with the distribution function one would infer when applying standard triple probe theory to analyze the collected currents. For the assumed class of non-Maxwellian distribution functions this serves to illustrate the effect a non-Maxwellian plasma would have on results interpreted using the equilibrium triple probe current collection theory, allowing us to state the magnitudes of these deviations as a function of the assumed distribution function properties.

Modeling the Non-Equilibrium Process of the Chemical Adsorption of Ammonia on GaN(0001) Reconstructed Surfaces Based on Steepest-Entropy-Ascent Quantum Thermodynamics.

Science.gov (United States)

Kusaba, Akira; Li, Guanchen; von Spakovsky, Michael R; Kangawa, Yoshihiro; Kakimoto, Koichi

2017-08-15

Clearly understanding elementary growth processes that depend on surface reconstruction is essential to controlling vapor-phase epitaxy more precisely. In this study, ammonia chemical adsorption on GaN(0001) reconstructed surfaces under metalorganic vapor phase epitaxy (MOVPE) conditions (3Ga-H and N ad -H + Ga-H on a 2 × 2 unit cell) is investigated using steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic-ensemble based, first-principles framework that can predict the behavior of non-equilibrium processes, even those far from equilibrium where the state evolution is a combination of reversible and irreversible dynamics. SEAQT is an ideal choice to handle this problem on a first-principles basis since the chemical adsorption process starts from a highly non-equilibrium state. A result of the analysis shows that the probability of adsorption on 3Ga-H is significantly higher than that on N ad -H + Ga-H. Additionally, the growth temperature dependence of these adsorption probabilities and the temperature increase due to the heat of reaction is determined. The non-equilibrium thermodynamic modeling applied can lead to better control of the MOVPE process through the selection of preferable reconstructed surfaces. The modeling also demonstrates the efficacy of DFT-SEAQT coupling for determining detailed non-equilibrium process characteristics with a much smaller computational burden than would be entailed with mechanics-based, microscopic-mesoscopic approaches.

Broken detailed balance and non-equilibrium dynamics in living systems: a review

Science.gov (United States)

Gnesotto, F. S.; Mura, F.; Gladrow, J.; Broedersz, C. P.

2018-06-01

Living systems operate far from thermodynamic equilibrium. Enzymatic activity can induce broken detailed balance at the molecular scale. This molecular scale breaking of detailed balance is crucial to achieve biological functions such as high-fidelity transcription and translation, sensing, adaptation, biochemical patterning, and force generation. While biological systems such as motor enzymes violate detailed balance at the molecular scale, it remains unclear how non-equilibrium dynamics manifests at the mesoscale in systems that are driven through the collective activity of many motors. Indeed, in several cellular systems the presence of non-equilibrium dynamics is not always evident at large scales. For example, in the cytoskeleton or in chromosomes one can observe stationary stochastic processes that appear at first glance thermally driven. This raises the question how non-equilibrium fluctuations can be discerned from thermal noise. We discuss approaches that have recently been developed to address this question, including methods based on measuring the extent to which the system violates the fluctuation-dissipation theorem. We also review applications of this approach to reconstituted cytoskeletal networks, the cytoplasm of living cells, and cell membranes. Furthermore, we discuss a more recent approach to detect actively driven dynamics, which is based on inferring broken detailed balance. This constitutes a non-invasive method that uses time-lapse microscopy data, and can be applied to a broad range of systems in cells and tissue. We discuss the ideas underlying this method and its application to several examples including flagella, primary cilia, and cytoskeletal networks. Finally, we briefly discuss recent developments in stochastic thermodynamics and non-equilibrium statistical mechanics, which offer new perspectives to understand the physics of living systems.

Broken detailed balance and non-equilibrium dynamics in living systems: a review.

Science.gov (United States)

Gnesotto, F S; Mura, F; Gladrow, J; Broedersz, C P

2018-03-05

Living systems operate far from thermodynamic equilibrium. Enzymatic activity can induce broken detailed balance at the molecular scale. This molecular scale breaking of detailed balance is crucial to achieve biological functions such as high-fidelity transcription and translation, sensing, adaptation, biochemical patterning, and force generation. While biological systems such as motor enzymes violate detailed balance at the molecular scale, it remains unclear how non-equilibrium dynamics manifests at the mesoscale in systems that are driven through the collective activity of many motors. Indeed, in several cellular systems the presence of non-equilibrium dynamics is not always evident at large scales. For example, in the cytoskeleton or in chromosomes one can observe stationary stochastic processes that appear at first glance thermally driven. This raises the question how non-equilibrium fluctuations can be discerned from thermal noise. We discuss approaches that have recently been developed to address this question, including methods based on measuring the extent to which the system violates the fluctuation-dissipation theorem. We also review applications of this approach to reconstituted cytoskeletal networks, the cytoplasm of living cells, and cell membranes. Furthermore, we discuss a more recent approach to detect actively driven dynamics, which is based on inferring broken detailed balance. This constitutes a non-invasive method that uses time-lapse microscopy data, and can be applied to a broad range of systems in cells and tissue. We discuss the ideas underlying this method and its application to several examples including flagella, primary cilia, and cytoskeletal networks. Finally, we briefly discuss recent developments in stochastic thermodynamics and non-equilibrium statistical mechanics, which offer new perspectives to understand the physics of living systems.

Non-targeted and delayed effects of exposure to ionizing radiation

International Nuclear Information System (INIS)

Zuo Yahui; Tong Jian

2007-01-01

Non-targeted and delayed effects are relative phenomena in cellular responses to ionizing radiation. These effects (bystander effects, genomic instability and adaptive responses) have been studied most extensively for radiation exposures. It is clear that adaptive responses, bystander effects and genomic instability will play an important role in the low dose-response to radiation. This review will provide a synthesis of the known, and proposed interrelationships amongst low-dose cellular responses to radiation, It also will examine the potential biological significance of non-targeted and delayed effects of exposure to ionizing radiation. (authors)

Atmospheric pressure chemical ionization studies of non-polar isomeric hydrocarbons using ion mobility spectrometry and mass spectrometry with different ionization techniques

Science.gov (United States)

Borsdorf, H.; Nazarov, E. G.; Eiceman, G. A.

2002-01-01

The ionization pathways were determined for sets of isomeric non-polar hydrocarbons (structural isomers, cis/trans isomers) using ion mobility spectrometry and mass spectrometry with different techniques of atmospheric pressure chemical ionization to assess the influence of structural features on ion formation. Depending on the structural features, different ions were observed using mass spectrometry. Unsaturated hydrocarbons formed mostly [M - 1]+ and [(M - 1)2H]+ ions while mainly [M - 3]+ and [(M - 3)H2O]+ ions were found for saturated cis/trans isomers using photoionization and 63Ni ionization. These ionization methods and corona discharge ionization were used for ion mobility measurements of these compounds. Different ions were detected for compounds with different structural features. 63Ni ionization and photoionization provide comparable ions for every set of isomers. The product ions formed can be clearly attributed to the structures identified. However, differences in relative abundance of product ions were found. Although corona discharge ionization permits the most sensitive detection of non-polar hydrocarbons, the spectra detected are complex and differ from those obtained with 63Ni ionization and photoionization. c. 2002 American Society for Mass Spectrometry.

Medical uses non-ionizing radiation

International Nuclear Information System (INIS)

Ubeda Maeso, A.; Trillo Ruiz, M. A.

2016-01-01

This article reviews various clinical applications of non-ionizing radiation, focusing on the Hz-GHz frequency range. Depending on the signal characteristics, the applications cover several therapeutic areas, including osteology and traumatology, tissue regeneration, physiotherapy, chronic pain treatment, neurology, cardiology, urology and oncology. Electromagnetic therapies have proved simple, safe, low cost, devoid of side effects and able to treat the underlying pathology rather than simply alleviate the symptoms. Therefore, it is predictable that these therapies will have as serious impact on public health and associated costs. (Author)

Study on electron density and average degree of ionization for the non-ideal argon plasmas

International Nuclear Information System (INIS)

Jing Ming; Huang Hua; Zhou Yisu; Wang Caixia

2008-01-01

Electron density and average degree of ionization of the non-ideal argon plasmas under different plasma temperature and density are calculated by using SHM model. It comes to a conclusion that the average degree of ionization is less than 0.5 for the non-ideal argon plasmas at temperature T=2.0eV and plasma density ρ=(0.01-0.5)g·cm -3 , and the average degree of ionization is reduced with the increase of plasma density ρ. This indicates that the non-ideal argon plasma has a very low degree of ionization so that most argon has not been ionized. In addition, the discussion on the ionization decrease with the increase of plasma density ρ is given. (authors)

An unstructured shock-fitting solver for hypersonic plasma flows in chemical non-equilibrium

Science.gov (United States)

Pepe, R.; Bonfiglioli, A.; D'Angola, A.; Colonna, G.; Paciorri, R.

2015-11-01

A CFD solver, using Residual Distribution Schemes on unstructured grids, has been extended to deal with inviscid chemical non-equilibrium flows. The conservative equations have been coupled with a kinetic model for argon plasma which includes the argon metastable state as independent species, taking into account electron-atom and atom-atom processes. Results in the case of an hypersonic flow around an infinite cylinder, obtained by using both shock-capturing and shock-fitting approaches, show higher accuracy of the shock-fitting approach.

Monte Carlo estimates of interfacial tension in the two-dimensional Ising model from non-equilibrium methods

International Nuclear Information System (INIS)

Híjar, Humberto; Sutmann, Godehard

2008-01-01

Non-equilibrium methods for estimating free energy differences are used in order to calculate the interfacial tension between domains with opposite magnetizations in two-dimensional Ising lattices. Non-equilibrium processes are driven by changing the boundary conditions for two opposite sides of the lattice from periodic to antiperiodic and vice versa. This mechanism, which promotes the appearance and disappearance of the interface, is studied by means of Monte Carlo simulations performed at different rates and using different algorithms, thus allowing for testing the applicability of non-equilibrium methods for processes driven far from or close to equilibrium. Interfaces in lattices with different widths and heights are studied and the interface tension as a function of these quantities is obtained. It is found that the estimates of the interfacial tension from non-equilibrium procedures are in good agreement with previous reports as well as with exact results. The efficiency of the different procedures used is analyzed and the dynamics of the interface under these perturbations is briefly discussed. A method for determining the efficiency of non-equilibrium methods as regards thermodynamic perturbation is also presented. It is found that for all cases studied, the Crooks non-equilibrium method for estimating free energy differences is the most efficient one

Equilibrium and non-equilibrium controls on the abundances of clumped isotopologues of methane during thermogenic formation in laboratory experiments: Implications for the chemistry of pyrolysis and the origins of natural gases

Science.gov (United States)

Shuai, Yanhua; Douglas, Peter M. J.; Zhang, Shuichang; Stolper, Daniel A.; Ellis, Geoffrey S.; Lawson, Michael; Lewan, Michael D.; Formolo, Michael; Mi, Jingkui; He, Kun; Hu, Guoyi; Eiler, John M.

2018-02-01

Multiply isotopically substituted molecules ('clumped' isotopologues) can be used as geothermometers because their proportions at isotopic equilibrium relative to a random distribution of isotopes amongst all isotopologues are functions of temperature. This has allowed measurements of clumped-isotope abundances to be used to constrain formation temperatures of several natural materials. However, kinetic processes during generation, modification, or transport of natural materials can also affect their clumped-isotope compositions. Herein, we show that methane generated experimentally by closed-system hydrous pyrolysis of shale or nonhydrous pyrolysis of coal yields clumped-isotope compositions consistent with an equilibrium distribution of isotopologues under some experimental conditions (temperature-time conditions corresponding to 'low,' 'mature,' and 'over-mature' stages of catagenesis), but can have non-equilibrium (i.e., kinetically controlled) distributions under other experimental conditions ('high' to 'over-mature' stages), particularly for pyrolysis of coal. Non-equilibrium compositions, when present, lead the measured proportions of clumped species to be lower than expected for equilibrium at the experimental temperature, and in some cases to be lower than a random distribution of isotopes (i.e., negative Δ18 values). We propose that the consistency with equilibrium for methane formed by relatively low temperature pyrolysis reflects local reversibility of isotope exchange reactions involving a reactant or transition state species during demethylation of one or more components of kerogen. Non-equilibrium clumped-isotope compositions occur under conditions where 'secondary' cracking of retained oil in shale or wet gas hydrocarbons (C2-5, especially ethane) in coal is prominent. We suggest these non-equilibrium isotopic compositions are the result of the expression of kinetic isotope effects during the irreversible generation of methane from an alkyl

Non-equilibrium Thermodynamic Dissolution Theory for Multi-Component Solid/Liquid Surfaces Involving Surface Adsorption and Radiolysis Kinetics

International Nuclear Information System (INIS)

Stout, R B

2001-01-01

A theoretical expression is developed for the dissolution rate response for multi-component radioactive materials that have surface adsorption kinetics and radiolysis kinetics when wetted by a multi-component aqueous solution. An application for this type of dissolution response is the performance evaluation of multi-component spent nuclear fuels (SNFs) for long term interim storage and for geological disposition. Typically, SNF compositions depend on initial composition, uranium oxide and metal alloys being most common, and on reactor burnup which results in a wide range of fission product and actinide concentrations that decay by alpha, beta, and gamma radiation. These compositional/burnup ranges of SNFs, whether placed in interim storage or emplaced in a geologic repository, will potentially be wetted by multi-component aqueous solutions, and these solutions may be further altered by radiolytic aqueous species due to three radiation fields. The solid states of the SNFs are not thermodynamically stable when wetted and will dissolve, with or without radiolysis. The following development of a dissolution theory is based on a non-equilibrium thermodynamic analysis of energy reactions and energy transport across a solid-liquid phase change discontinuity that propagates at a quasi-steady, dissolution velocity. The integral form of the energy balance equation is used for this spatial surface discontinuity analysis. The integral formulation contains internal energy functional of classical thermodynamics for both the SNFs' solid state and surface adsorption species, and the adjacent liquid state, which includes radiolytic chemical species. The steady-state concentrations of radiolytic chemical species are expressed by an approximate analysis of the decay radiation transport equation. For purposes of illustration a modified Temkin adsorption isotherm was assumed for the surface adsorption kinetics on an arbitrary, finite area of the solid-liquid dissolution interface. For

Equilibrium and non-equilibrium conformations of peptides in lipid bilayers.

Science.gov (United States)

Boden, N; Cheng, Y; Knowles, P F

1997-04-22

A synthetic, hydrophobic, 27-amino-acid-residue peptide 'K27', modelled on the trans-membrane domain of the slow voltage-gated potassium channel, IsK, has been incorporated into a lipid bilayer and its conformational properties studied using FT-IR spectroscopy. The conformation following reconstitution is found to be dependent on the nature of the solvent employed. When the reconstitution is conducted by solvent evaporation from a methanol solution, aggregates comprised of beta-strands are stabilised and their concentration is essentially invariant with time. By contrast, when trifluoroethanol is used, the initial conformation of the peptide is alpha-helical. This then relaxes to an equilibrium state between alpha-helices and beta-strands. The alpha-helix-to beta-strand conversion rate is relatively slow, and this allows the kinetics to be studied by FT-IR spectroscopy. The reverse process is much slower but again can be demonstrated by FT-IR. Thus, it appears that a true equilibrium structure can only be achieved by starting with peptide in the alpha-helical conformation. We believe this result should be of general validity for hydrophobic peptide reconstitution. The implications for conformational changes in membrane proteins are discussed.

Non-equilibrium phase transition in a spreading process on a timeline

International Nuclear Information System (INIS)

Barato, Andre C; Hinrichsen, Haye

2009-01-01

We consider a non-equilibrium process on a timeline with discrete sites which evolves following a non-Markovian update rule in such a way that an active site at time t activates one or several sites in the future at time t+Δt. The time intervals Δt are distributed algebraically as (Δt) −1−κ , where 0<κ<1 is a control parameter. Depending on the activation rate, the system displays a non-equilibrium phase transition which may be interpreted as directed percolation transition driven by temporal Lévy flights in the limit of zero space dimensions. The critical properties are investigated by means of extensive numerical simulations and compared with field-theoretic predictions

Ignition conditions relaxation for central hot-spot ignition with an ion-electron non-equilibrium model

Science.gov (United States)

Fan, Zhengfeng; Liu, Jie

2016-10-01

We present an ion-electron non-equilibrium model, in which the hot-spot ion temperature is higher than its electron temperature so that the hot-spot nuclear reactions are enhanced while energy leaks are considerably reduced. Theoretical analysis shows that the ignition region would be significantly enlarged in the hot-spot rhoR-T space as compared with the commonly used equilibrium model. Simulations show that shocks could be utilized to create and maintain non-equilibrium conditions within the hot spot, and the hot-spot rhoR requirement is remarkably reduced for achieving self-heating. In NIF high-foot implosions, it is observed that the x-ray enhancement factors are less than unity, which is not self-consistent and is caused by assuming Te =Ti. And from this non-consistency, we could infer that ion-electron non-equilibrium exists in the high-foot implosions and the ion temperature could be 9% larger than the equilibrium temperature.

Asymptotic analysis of discrete schemes for non-equilibrium radiation diffusion

International Nuclear Information System (INIS)

Cui, Xia; Yuan, Guang-wei; Shen, Zhi-jun

2016-01-01

Motivated by providing well-behaved fully discrete schemes in practice, this paper extends the asymptotic analysis on time integration methods for non-equilibrium radiation diffusion in [2] to space discretizations. Therein studies were carried out on a two-temperature model with Larsen's flux-limited diffusion operator, both the implicitly balanced (IB) and linearly implicit (LI) methods were shown asymptotic-preserving. In this paper, we focus on asymptotic analysis for space discrete schemes in dimensions one and two. First, in construction of the schemes, in contrast to traditional first-order approximations, asymmetric second-order accurate spatial approximations are devised for flux-limiters on boundary, and discrete schemes with second-order accuracy on global spatial domain are acquired consequently. Then by employing formal asymptotic analysis, the first-order asymptotic-preserving property for these schemes and furthermore for the fully discrete schemes is shown. Finally, with the help of manufactured solutions, numerical tests are performed, which demonstrate quantitatively the fully discrete schemes with IB time evolution indeed have the accuracy and asymptotic convergence as theory predicts, hence are well qualified for both non-equilibrium and equilibrium radiation diffusion. - Highlights: • Provide AP fully discrete schemes for non-equilibrium radiation diffusion. • Propose second order accurate schemes by asymmetric approach for boundary flux-limiter. • Show first order AP property of spatially and fully discrete schemes with IB evolution. • Devise subtle artificial solutions; verify accuracy and AP property quantitatively. • Ideas can be generalized to 3-dimensional problems and higher order implicit schemes.

A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics

Science.gov (United States)

Kretchmer, Joshua S.; Chan, Garnet Kin-Lic

2018-02-01

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.

Modeling chromatographic columns. Non-equilibrium packed-bed adsorption with non-linear adsorption isotherms

NARCIS (Netherlands)

Özdural, A.R.; Alkan, A.; Kerkhof, P.J.A.M.

2004-01-01

In this work a new mathematical model, based on non-equilibrium conditions, describing the dynamic adsorption of proteins in columns packed with spherical adsorbent particles is used to study the performance of chromatographic systems. Simulations of frontal chromatography, including axial

Teaching at the edge of knowledge: Non-equilibrium statistical physics

Science.gov (United States)

Schmittmann, Beate

2007-03-01

As physicists become increasingly interested in biological problems, we frequently find ourselves confronted with complex open systems, involving many interacting constituents and characterized by non-vanishing fluxes of mass or energy. Faced with the task of predicting macroscopic behaviors from microscopic information for these non-equilibrium systems, the familiar Gibbs-Boltzmann framework fails. The development of a comprehensive theoretical characterization of non-equilibrium behavior is one of the key challenges of modern condensed matter physics. In its absence, several approaches have been developed, from master equations to thermostatted molecular dynamics, which provide key insights into the rich and often surprising phenomenology of systems far from equilibrium. In my talk, I will address some of these methods, selecting those that are most relevant for a broad range of interdisciplinary problems from biology to traffic, finance, and sociology. The ``portability'' of these methods makes them valuable for graduate students from a variety of disciplines. To illustrate how different methods can complement each other when probing a problem from, e.g., the life sciences, I will discuss some recent attempts at modeling translation, i.e., the process by which the genetic information encoded on an mRNA is translated into the corresponding protein.

Kinetic equations within the formalism of non-equilibrium thermo field dynamics

International Nuclear Information System (INIS)

Arimitsu, Toshihico

1988-01-01

After reviewing the real-time formalism of dissipative quantum field theory, i.e. non-equilibrium thermo field dynamics (NETFD), a kinetic equation, a self-consistent equation for the dissipation coefficient and a ''mass'' or ''chemical potential'' renormalization equation for non-equilibrium transient situations are extracted out of the two-point Green's function of the Heisenberg field, in their most general forms upon the basic requirements of NETFD. The formulation is applied to the electron-phonon system, as an example, where the gradient expansion and the quasi-particle approximation are performed. The formalism of NETFD is reinvestigated in connection with the kinetic equations. (orig.)

Non-equilibrium dissipative supramolecular materials with a tunable lifetime

Science.gov (United States)

Tena-Solsona, Marta; Rieß, Benedikt; Grötsch, Raphael K.; Löhrer, Franziska C.; Wanzke, Caren; Käsdorf, Benjamin; Bausch, Andreas R.; Müller-Buschbaum, Peter; Lieleg, Oliver; Boekhoven, Job

2017-07-01

Many biological materials exist in non-equilibrium states driven by the irreversible consumption of high-energy molecules like ATP or GTP. These energy-dissipating structures are governed by kinetics and are thus endowed with unique properties including spatiotemporal control over their presence. Here we show man-made equivalents of materials driven by the consumption of high-energy molecules and explore their unique properties. A chemical reaction network converts dicarboxylates into metastable anhydrides driven by the irreversible consumption of carbodiimide fuels. The anhydrides hydrolyse rapidly to the original dicarboxylates and are designed to assemble into hydrophobic colloids, hydrogels or inks. The spatiotemporal control over the formation and degradation of materials allows for the development of colloids that release hydrophobic contents in a predictable fashion, temporary self-erasing inks and transient hydrogels. Moreover, we show that each material can be re-used for several cycles.

Homogeneous non-equilibrium two-phase critical flow model

International Nuclear Information System (INIS)

Schroeder, J.J.; Vuxuan, N.

1987-01-01

An important aspect of nuclear and chemical reactor safety is the ability to predict the maximum or critical mass flow rate from a break or leak in a pipe system. At the beginning of such a blowdown, if the stagnation condition of the fluid is subcooled or slightly saturated thermodynamic non-equilibrium exists in the downstream, e.g. the fluid becomes superheated to a degree determined by the liquid pressure. A simplified non-equilibrium model, explained in this report, is valid for rapidly decreasing pressure along the flow path. It presumes that fluid has to be superheated by an amount governed by physical principles before it starts to flash into steam. The flow is assumed to be homogeneous, i.e. the steam and liquid velocities are equal. An adiabatic flow calculation mode (Fanno lines) is employed to evaluate the critical flow rate for long pipes. The model is found to satisfactorily describe critical flow tests. Good agreement is obtained with the large scale Marviken tests as well as with small scale experiments. (orig.)

Fractional Stark state selective electric field ionization of very high-n Rydberg states of molecules

International Nuclear Information System (INIS)

Dietrich, H.; Mueller-Dethlefs, K.; Baranov, L.Y.

1996-01-01

For the first time fractional Stark state selective electric field ionization of very high-n (n approx-gt 250) molecular Rydberg states is observed. An open-quote open-quote offset close-quote close-quote electric pulse selectively ionizes the more fragile open-quote open-quote red close-quote close-quote (down shifted in energy) Stark states. The more resilient open-quote open-quote bluer close-quote close-quote, or up-shifted, ones survive and are shifted down in energy upon application of a second (open-quote open-quote probe close-quote close-quote) pulse of opposite direction (diabatic Stark states close-quote inversion). Hence, even for smaller probe than offset fields ionization is observed. The offset/probe ratio allows one to control spectral peak shapes in zero-kinetic-energy photoelectron spectroscopy. copyright 1995 The American Physical Society

Equilibrium charge state distributions of high energy heavy ions

International Nuclear Information System (INIS)

Clark, R.B.; Grant, I.S.; King, R.; Eastham, D.A.; Joy, T.

1976-01-01

Equilibrium charge state fractions have been measured for N, O, Ne, S, Ar and Kr ions at 1.04 MeV/nucleon after passing through various stripping materials. Further data were obtained at higher energy for S ions (4.12 MeV/nucleon) and Ar ions (4.12 and 9.6 MeV/nucleon). The mean charge fractions can be fitted to universal curves for both solid and gaseous strippers. Measurements of the equilibrium fraction of krypton ions at 1.04 MeV/nucleon passing through heavy vapours have shown that a higher average charge state is obtained than for lighter gaseous strippers. (Auth.)

Applications of non-equilibrium plasma in chemical processes

International Nuclear Information System (INIS)

Patino, P.; Castro, A.

2003-01-01

By means of optical emission spectroscopy the population of O( 3 P) in a non-equilibrium, high voltage, oxygen plasma, and O( 3 P), H and OH in another of steam in radio frequency, have been followed. Reactions of both plasmas with liquid hydrocarbons have produced oxidation and/or hydrogenation, depending on the conditions of each one. (Author)

Non-equilibrium statistical physics with application to disordered systems

CERN Document Server

Cáceres, Manuel Osvaldo

2017-01-01

This textbook is the result of the enhancement of several courses on non-equilibrium statistics, stochastic processes, stochastic differential equations, anomalous diffusion and disorder. The target audience includes students of physics, mathematics, biology, chemistry, and engineering at undergraduate and graduate level with a grasp of the basic elements of mathematics and physics of the fourth year of a typical undergraduate course. The little-known physical and mathematical concepts are described in sections and specific exercises throughout the text, as well as in appendices. Physical-mathematical motivation is the main driving force for the development of this text. It presents the academic topics of probability theory and stochastic processes as well as new educational aspects in the presentation of non-equilibrium statistical theory and stochastic differential equations.. In particular it discusses the problem of irreversibility in that context and the dynamics of Fokker-Planck. An introduction on fluc...

Ordered phase and non-equilibrium fluctuation in stock market

Science.gov (United States)

Maskawa, Jun-ichi

2002-08-01

We analyze the statistics of daily price change of stock market in the framework of a statistical physics model for the collective fluctuation of stock portfolio. In this model the time series of price changes are coded into the sequences of up and down spins, and the Hamiltonian of the system is expressed by spin-spin interactions as in spin glass models of disordered magnetic systems. Through the analysis of Dow-Jones industrial portfolio consisting of 30 stock issues by this model, we find a non-equilibrium fluctuation mode on the point slightly below the boundary between ordered and disordered phases. The remaining 29 modes are still in disordered phase and well described by Gibbs distribution. The variance of the fluctuation is outlined by the theoretical curve and peculiarly large in the non-equilibrium mode compared with those in the other modes remaining in ordinary phase.

Non-ionizing radiation as threat in daily life | Syaza | Journal of ...

African Journals Online (AJOL)

Electromagnetic field (EMF) is a field of combination between electric and magnetic field. While electromagnetic radiation (EMR) can be divided into ionizing and non-ionizing radiation (NIR). This article review of published scientific studies about NIR and its effect on the human body. From this review, it is found that NIR ...

Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model.

Science.gov (United States)

Glowacki, David R; Orr-Ewing, Andrew J; Harvey, Jeremy N

2015-07-28

We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD3CN → DF + CD2CN reaction in CD3CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD3CN solvent, equilibrium power spectra of DF in CD3CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol(-1) localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD3CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational relaxation of the nascent DF results in a spectral

Para-equilibrium phase diagrams

International Nuclear Information System (INIS)

Pelton, Arthur D.; Koukkari, Pertti; Pajarre, Risto; Eriksson, Gunnar

2014-01-01

Highlights: • A rapidly cooled system may attain a state of para-equilibrium. • In this state rapidly diffusing elements reach equilibrium but others are immobile. • Application of the Phase Rule to para-equilibrium phase diagrams is discussed. • A general algorithm to calculate para-equilibrium phase diagrams is described. - Abstract: If an initially homogeneous system at high temperature is rapidly cooled, a temporary para-equilibrium state may result in which rapidly diffusing elements have reached equilibrium but more slowly diffusing elements have remained essentially immobile. The best known example occurs when homogeneous austenite is quenched. A para-equilibrium phase assemblage may be calculated thermodynamically by Gibbs free energy minimization under the constraint that the ratios of the slowly diffusing elements are the same in all phases. Several examples of calculated para-equilibrium phase diagram sections are presented and the application of the Phase Rule is discussed. Although the rules governing the geometry of these diagrams may appear at first to be somewhat different from those for full equilibrium phase diagrams, it is shown that in fact they obey exactly the same rules with the following provision. Since the molar ratios of non-diffusing elements are the same in all phases at para-equilibrium, these ratios act, as far as the geometry of the diagram is concerned, like “potential” variables (such as T, pressure or chemical potentials) rather than like “normal” composition variables which need not be the same in all phases. A general algorithm to calculate para-equilibrium phase diagrams is presented. In the limit, if a para-equilibrium calculation is performed under the constraint that no elements diffuse, then the resultant phase diagram shows the single phase with the minimum Gibbs free energy at any point on the diagram; such calculations are of interest in physical vapor deposition when deposition is so rapid that phase

Non-ionizing and ionizing dosimetry in a space radiation environment with GaAs and SiC LEDs

International Nuclear Information System (INIS)

Houdayer, A.; Hinrichsen, P.F.; Barry, A.L.; Ng, A.C.; Carlone, C.; Simard, JF.

1996-01-01

This paper describes a dosimetry experiment that will be carried onboard the Russian MIR space station. The experiment will compare the ionizing and Non-ionizing Energy Loss (NEL) in semiconductors of the radiation encountered in space. The ionizing dose will be detected using ThermoLuminescent Dosimeter (TLD) whereas SiC and GaAs LEDs will be used to measure the nonionizing component. The tray will be mounted on the outside of the station for a minimum period of 4 months. The goal of the experiment is to determine the feasibility of using SiC and GaAs LEDs as NEL dosimeters in space. (author)

The Rate-Controlled Constrained-Equilibrium Approach to Far-From-Local-Equilibrium Thermodynamics

Directory of Open Access Journals (Sweden)

Hameed Metghalchi

2012-01-01

Full Text Available The Rate-Controlled Constrained-Equilibrium (RCCE method for the description of the time-dependent behavior of dynamical systems in non-equilibrium states is a general, effective, physically based method for model order reduction that was originally developed in the framework of thermodynamics and chemical kinetics. A generalized mathematical formulation is presented here that allows including nonlinear constraints in non-local equilibrium systems characterized by the existence of a non-increasing Lyapunov functional under the system’s internal dynamics. The generalized formulation of RCCE enables to clarify the essentials of the method and the built-in general feature of thermodynamic consistency in the chemical kinetics context. In this paper, we work out the details of the method in a generalized mathematical-physics framework, but for definiteness we detail its well-known implementation in the traditional chemical kinetics framework. We detail proofs and spell out explicit functional dependences so as to bring out and clarify each underlying assumption of the method. In the standard context of chemical kinetics of ideal gas mixtures, we discuss the relations between the validity of the detailed balance condition off-equilibrium and the thermodynamic consistency of the method. We also discuss two examples of RCCE gas-phase combustion calculations to emphasize the constraint-dependent performance of the RCCE method.

Dynamical behaviors of inter-out-of-equilibrium state intervals in Korean futures exchange markets

Science.gov (United States)

Lim, Gyuchang; Kim, SooYong; Kim, Kyungsik; Lee, Dong-In; Scalas, Enrico

2008-05-01

A recently discovered feature of financial markets, the two-phase phenomenon, is utilized to categorize a financial time series into two phases, namely equilibrium and out-of-equilibrium states. For out-of-equilibrium states, we analyze the time intervals at which the state is revisited. The power-law distribution of inter-out-of-equilibrium state intervals is shown and we present an analogy with discrete-time heat bath dynamics, similar to random Ising systems. In the mean-field approximation, this model reduces to a one-dimensional multiplicative process. By varying global and local model parameters, the relevance between volatilities in financial markets and the interaction strengths between agents in the Ising model are investigated and discussed.

The effect of non-equilibrium metal cooling on the interstellar medium

Science.gov (United States)

Capelo, Pedro R.; Bovino, Stefano; Lupi, Alessandro; Schleicher, Dominik R. G.; Grassi, Tommaso

2018-04-01

By using a novel interface between the modern smoothed particle hydrodynamics code GASOLINE2 and the chemistry package KROME, we follow the hydrodynamical and chemical evolution of an isolated galaxy. In order to assess the relevance of different physical parameters and prescriptions, we constructed a suite of 10 simulations, in which we vary the chemical network (primordial and metal species), how metal cooling is modelled (non-equilibrium versus equilibrium; optically thin versus thick approximation), the initial gas metallicity (from 10 to 100 per cent solar), and how molecular hydrogen forms on dust. This is the first work in which metal injection from supernovae, turbulent metal diffusion, and a metal network with non-equilibrium metal cooling are self-consistently included in a galaxy simulation. We find that properly modelling the chemical evolution of several metal species and the corresponding non-equilibrium metal cooling has important effects on the thermodynamics of the gas, the chemical abundances, and the appearance of the galaxy: the gas is typically warmer, has a larger molecular-gas mass fraction, and has a smoother disc. We also conclude that, at relatively high metallicity, the choice of molecular-hydrogen formation rates on dust is not crucial. Moreover, we confirm that a higher initial metallicity produces a colder gas and a larger fraction of molecular gas, with the low-metallicity simulation best matching the observed molecular Kennicutt-Schmidt relation. Finally, our simulations agree quite well with observations that link star formation rate to metal emission lines.

Scientific colloquium on medical supervision of workers exposed to ionizing and non ionizing radiations

International Nuclear Information System (INIS)

1975-01-01

The general principles of medical surveillance for workers exposed to ionizing radiation were defined in the Euratom Basic Standards in 1959. These principles, which are in accordance with the early IGRP publications, have been adopted by the national authorities and implemented without difficulty. However, because of the forthcoming publication of the revised Basic Standards- in accordance with recent IGRP recommendations, the Commission decided to organize a meeting of doctors responsible for the medical surveillance of workers exposed to ionizing radiation in order to disseminate as widely as possible the results of experience gained in the field of radiological protection and to pinpoint the practical difficulties which might arise when the principles were applied. The Commission also considered it important to inform doctors specializing in radiological protection about the principles to be followed by those responsible for the health protection of workers exposed to non-ionizing radiation, particularly microwaves and Laser beams. The complete text of each report in the original language is given in this volume

Characterization of non equilibrium effects on high quality critical flows

International Nuclear Information System (INIS)

Camelo, E.; Lemonnier, H.; Ochterbeck, J.

1995-01-01

The appropriate design of various pieces of safety equipment such as relief systems, relies on the accurate description of critical flow phenomena. Most of the systems of industrial interest are willing to be described by one-dimensional area-averaged models and a large fraction of them involves multi-component high gas quality flows. Within these circumstances, the flow is very likely to be of an annular dispersed nature and its description by two-fluid models requires various closure relations. Among the most sensitive closures, there is the interfacial area and the liquid entrained fraction. The critical flowrate depends tremendously on the accurate description of the non equilibrium which results from the correctness of the closure equations. In this study, two-component flows are emphasized and non equilibrium results mainly form the differences in the phase velocities. It is therefore of the utmost importance to have reliable data to characterize non equilibrium phenomena and to assess the validity of the closure models. A comprehensive description of air-water nozzle flows, with emphasis on the effect of the nozzle geometry, has been undertaken and some of the results are presented here which helps understanding the overall flow dynamics. Besides the critical flowrate, the presented material includes pressure profiles, droplet size and velocity, liquid film flowrate and liquid film thickness

Characterization of non equilibrium effects on high quality critical flows

Energy Technology Data Exchange (ETDEWEB)

Camelo, E.; Lemonnier, H.; Ochterbeck, J. [Commissariat a l Energie Atomique, Grenoble (France)] [and others

1995-09-01

The appropriate design of various pieces of safety equipment such as relief systems, relies on the accurate description of critical flow phenomena. Most of the systems of industrial interest are willing to be described by one-dimensional area-averaged models and a large fraction of them involves multi-component high gas quality flows. Within these circumstances, the flow is very likely to be of an annular dispersed nature and its description by two-fluid models requires various closure relations. Among the most sensitive closures, there is the interfacial area and the liquid entrained fraction. The critical flowrate depends tremendously on the accurate description of the non equilibrium which results from the correctness of the closure equations. In this study, two-component flows are emphasized and non equilibrium results mainly form the differences in the phase velocities. It is therefore of the utmost importance to have reliable data to characterize non equilibrium phenomena and to assess the validity of the closure models. A comprehensive description of air-water nozzle flows, with emphasis on the effect of the nozzle geometry, has been undertaken and some of the results are presented here which helps understanding the overall flow dynamics. Besides the critical flowrate, the presented material includes pressure profiles, droplet size and velocity, liquid film flowrate and liquid film thickness.

Emergence of an enslaved phononic bandgap in a non-equilibrium pseudo-crystal

Science.gov (United States)

Bachelard, Nicolas; Ropp, Chad; Dubois, Marc; Zhao, Rongkuo; Wang, Yuan; Zhang, Xiang

2017-08-01

Material systems that reside far from thermodynamic equilibrium have the potential to exhibit dynamic properties and behaviours resembling those of living organisms. Here we realize a non-equilibrium material characterized by a bandgap whose edge is enslaved to the wavelength of an external coherent drive. The structure dynamically self-assembles into an unconventional pseudo-crystal geometry that equally distributes momentum across elements. The emergent bandgap is bestowed with lifelike properties, such as the ability to self-heal to perturbations and adapt to sudden changes in the drive. We derive an exact analytical solution for both the spatial organization and the bandgap features, revealing the mechanism for enslavement. This work presents a framework for conceiving lifelike non-equilibrium materials and emphasizes the potential for the dynamic imprinting of material properties through external degrees of freedom.

Emergence of an enslaved phononic bandgap in a non-equilibrium pseudo-crystal.

Science.gov (United States)

Bachelard, Nicolas; Ropp, Chad; Dubois, Marc; Zhao, Rongkuo; Wang, Yuan; Zhang, Xiang

2017-08-01

Material systems that reside far from thermodynamic equilibrium have the potential to exhibit dynamic properties and behaviours resembling those of living organisms. Here we realize a non-equilibrium material characterized by a bandgap whose edge is enslaved to the wavelength of an external coherent drive. The structure dynamically self-assembles into an unconventional pseudo-crystal geometry that equally distributes momentum across elements. The emergent bandgap is bestowed with lifelike properties, such as the ability to self-heal to perturbations and adapt to sudden changes in the drive. We derive an exact analytical solution for both the spatial organization and the bandgap features, revealing the mechanism for enslavement. This work presents a framework for conceiving lifelike non-equilibrium materials and emphasizes the potential for the dynamic imprinting of material properties through external degrees of freedom.

Fast non-linear extraction of plasma equilibrium parameters using a neural network mapping

International Nuclear Information System (INIS)

Lister, J.B.; Schnurrenberger, H.

1990-07-01

The shaping of non-circular plasmas requires a non-linear mapping between the measured diagnostic signals and selected equilibrium parameters. The particular configuration of Neural Network known as the multi-layer perceptron provides a powerful and general technique for formulating an arbitrary continuous non-linear multi-dimensional mapping. This technique has been successfully applied to the extraction of equilibrium parameters from measurements of single-null diverted plasmas in the DIII-D tokamak; the results are compared with a purely linear mapping. The method is promising, and hardware implementation is straightforward. (author) 15 refs., 7 figs

Non-equilibrium mass transfer absorption model for the design of boron isotopes chemical exchange column

International Nuclear Information System (INIS)

Bai, Peng; Fan, Kaigong; Guo, Xianghai; Zhang, Haocui

2016-01-01

Highlights: • We propose a non-equilibrium mass transfer absorption model instead of a distillation equilibrium model to calculate boron isotopes separation. • We apply the model to calculate the needed column height to meet prescribed separation requirements. - Abstract: To interpret the phenomenon of chemical exchange in boron isotopes separation accurately, the process is specified as an absorption–reaction–desorption hybrid process instead of a distillation equilibrium model, the non-equilibrium mass transfer absorption model is put forward and a mass transfer enhancement factor E is introduced to find the packing height needed to meet the specified separation requirements with MATLAB.

Equilibrium and non-equilibrium controls on the abundances of clumped isotopologues of methane during thermogenic formation in laboratory experiments: Implications for the chemistry of pyrolysis and the origins of natural gases

Science.gov (United States)

Shuai, Yanhua; Douglas, Peter M.J.; Zhang, Shuichang; Stolper, Daniel A.; Ellis, Geoffrey S.; Lawson, Michael; Lewan, Michael; Formolo, Michael; Mi, Jingkui; He, Kun; Hu, Guoyi; Eiler, John M.

2018-01-01

Multiply isotopically substituted molecules (‘clumped’ isotopologues) can be used as geothermometers because their proportions at isotopic equilibrium relative to a random distribution of isotopes amongst all isotopologues are functions of temperature. This has allowed measurements of clumped-isotope abundances to be used to constrain formation temperatures of several natural materials. However, kinetic processes during generation, modification, or transport of natural materials can also affect their clumped-isotope compositions. Herein, we show that methane generated experimentally by closed-system hydrous pyrolysis of shale or nonhydrous pyrolysis of coal yields clumped-isotope compositions consistent with an equilibrium distribution of isotopologues under some experimental conditions (temperature–time conditions corresponding to ‘low,’ ‘mature,’ and ‘over-mature’ stages of catagenesis), but can have non-equilibrium (i.e., kinetically controlled) distributions under other experimental conditions (‘high’ to ‘over-mature’ stages), particularly for pyrolysis of coal. Non-equilibrium compositions, when present, lead the measured proportions of clumped species to be lower than expected for equilibrium at the experimental temperature, and in some cases to be lower than a random distribution of isotopes (i.e., negative Δ18 values). We propose that the consistency with equilibrium for methane formed by relatively low temperature pyrolysis reflects local reversibility of isotope exchange reactions involving a reactant or transition state species during demethylation of one or more components of kerogen. Non-equilibrium clumped-isotope compositions occur under conditions where ‘secondary’ cracking of retained oil in shale or wet gas hydrocarbons (C2-5, especially ethane) in coal is prominent. We suggest these non-equilibrium isotopic compositions are the result of the expression of kinetic isotope effects during the irreversible generation

Bifurcation and Stability Analysis of the Equilibrium States in Thermodynamic Systems in a Small Vicinity of the Equilibrium Values of Parameters

Science.gov (United States)

Barsuk, Alexandr A.; Paladi, Florentin

2018-04-01

The dynamic behavior of thermodynamic system, described by one order parameter and one control parameter, in a small neighborhood of ordinary and bifurcation equilibrium values of the system parameters is studied. Using the general methods of investigating the branching (bifurcations) of solutions for nonlinear equations, we performed an exhaustive analysis of the order parameter dependences on the control parameter in a small vicinity of the equilibrium values of parameters, including the stability analysis of the equilibrium states, and the asymptotic behavior of the order parameter dependences on the control parameter (bifurcation diagrams). The peculiarities of the transition to an unstable state of the system are discussed, and the estimates of the transition time to the unstable state in the neighborhood of ordinary and bifurcation equilibrium values of parameters are given. The influence of an external field on the dynamic behavior of thermodynamic system is analyzed, and the peculiarities of the system dynamic behavior are discussed near the ordinary and bifurcation equilibrium values of parameters in the presence of external field. The dynamic process of magnetization of a ferromagnet is discussed by using the general methods of bifurcation and stability analysis presented in the paper.

Theory of steady-state plane tunneling-assisted impact ionization waves

International Nuclear Information System (INIS)

Kyuregyan, A. S.

2013-01-01

The effect of band-to-band and trap-assisted tunneling on the properties of steady-state plane ionization waves in p + -n-n + structures is theoretically analyzed. It is shown that such tunneling-assisted impact ionization waves do not differ in a qualitative sense from ordinary impact ionization waves propagating due to the avalanche multiplication of uniformly distributed seed electrons and holes. The quantitative differences of tunneling-assisted impact ionization waves from impact ionization waves are reduced to a slightly different relation between the wave velocity u and the maximum field strength E M at the front. It is shown that disregarding impact ionization does not exclude the possibility of the existence of tunneling-assisted ionization waves; however, their structure radically changes, and their velocity strongly decreases for the same E M . A comparison of the dependences u(E M ) for various ionization-wave types makes it possible to determine the conditions under which one of them is dominant. In conclusion, unresolved problems concerning the theory of tunneling-assisted impact ionization waves are discussed and the directions of further studies are outlined

A simple and rational numerical method of two-phase flow with volume-junction model. 2. The numerical method for general condition of two-phase flow in non-equilibrium states

International Nuclear Information System (INIS)

Okazaki, Motoaki

1997-11-01

In the previous report, the usefulness of a new numerical method to achieve a rigorous numerical calculation using a simple explicit method with the volume-junction model was presented with the verification calculation for the depressurization of a saturated two-phase mixture. In this report, on the basis of solution method above, a numerical method for general condition of two-phase flow in non-equilibrium states is presented. In general condition of two-phase flow, the combinations of saturated and non-saturated conditions of each phase are considered in the each flow of volume and junction. Numerical evaluation programs are separately prepared for each combination of flow condition. Several numerical calculations of various kinds of non-equilibrium two-phase flow are made to examine the validity of the numerical method. Calculated results showed that the thermodynamic states obtained in different solution schemes were consistent with each other. In the first scheme, the states are determined by using the steam table as a function of pressure and specific enthalpy which are obtained as the solutions of simultaneous equations. In the second scheme, density and specific enthalpy of each phase are directly calculated by using conservation equations of mass and enthalpy of each phase, respectively. Further, no accumulation of error in mass and energy was found. As for the specific enthalpy, two cases of using energy equations for the volume are examined. The first case uses total energy conservation equation and the second case uses the type of the first law of thermodynamics. The results of both cases agreed well. (author)

Simulation and experimental investigation of mechanical and thermal non-equilibrium effect on choking flow at low pressure

International Nuclear Information System (INIS)

Yoon, H.J.; Ishii, M.; Revankar, S.T.

2004-01-01

The prediction of two-phase choking flow at low pressure (<1MPa) is much more difficult than at relatively higher pressure due to the large density ratio and relatively large thermal and mechanical non-equilibrium between the phases. At low pressure currently available choking flow models are not reliable and satisfactory. In view of this, separate effect tests were conducted to systematically investigate the effects of mechanical and thermal non-equilibrium on the two-phase choking flow in a pipe. The systematic studies is not available in literature, therefore no clear understanding of these effects has been attained until now. A scaled integral facility called PUMA was used for these tests with specific boundary condition with several unique in-;line instruments. The mechanical non-equilibrium effect was studied with air-water choking flow. Subcooled water two-phase choking flow was studied to identify the effects of mechanical and thermal non-equilibrium. A typical nozzle and orifice were used as the choking flow section to evaluate the degree of non-equilibrium due to geometry. The slip ratio, which is a key parameter to express the mechanical non-equilibrium, is obtained upstream of the choking section in the air-water test. The measured choking mass flux for the nozzle was higher than the orifice at low flow quality (<0.05) for the same upstream flow quality indicating that there is a strong mechanical non-equilibrium at the choking plane. The thermal non-equilibrium effect was very strong at low pressure, however, no major influence of the geometry on this effect was observed. Experimental data were compared with RELAP5/MOD3.2.1.2, MOD3.3 beta and TRAC-M code predictions. The code predictions in general were not in agreement with the air-water choking flow test data. This indicated that the mechanical non-equilibrium effects were not properly modeled in the codes. The test data for subcooled water showed moderate decrease of choking mass flux with decrease

Comet assay as a procedure for detecting possible genotoxicity induced by non-ionizing radiation

OpenAIRE

Zsuzsanna Nemeth

2015-01-01

Non-ionizing radiation (NIR) is the term given to radiation in the part of the electromagnetic spectrum that does not have enough energy to ionize atoms or molecules directly. The NIR includes electric and magnetic fields up to 300 GHz, infrared, visible, and ultraviolet radiation (UV). People are exposed to non-ionizing radiation by several man-made sources every day. From highest to lowest energy, this includes for example microwave ovens, cell phones, baby monitors, cordless phones, ga...

Corrosion of cast and non equilibrium magnesium alloys

International Nuclear Information System (INIS)

Mathieu, S.; Rapin, C.; Steinmetz, P.; Hazan, J.

1999-01-01

Due to their low density, magnesium alloys arc very promising as regards applications in the automotive or aeronautical industry. Their corrosion resistance has however to be increased, particularly for cast alloys which are very often two-phased and thus suffer from internal galvanic corrosion. With use of sputtering methods of elaboration, homogeneous magnesium alloys containing far from equilibrium Al, Zr or valve metals contents can be prepared. Corrosion data for Mg-Al-Zn-Sn alloys and MgZr alloys obtained by sputtering, have been determined and compared to those of cast and thixocast AZ91 alloy. Electrochemical tests have evidenced a significantly better behaviour of non equilibrium alloys which, thanks to XPS measurements, could be correlated to the composition of the superficial oxide scale formed on these alloys. (author)

Progress in Non-equilibrium Green's Functions (PNGF VI)

International Nuclear Information System (INIS)

2016-01-01

The sixth interdisciplinary conference 'Progress in Non-equilibrium Green's Functions' (PNGF6) took place at Lund University, Sweden, on 17-21 August 2015. The conference was attended by 60 scientists, from Europe and overseas, sharing an interest in Green's function methods and/or non-equilibrium phenomena. At the conference, 34 invited and contributed talks were given, together with a poster session with 17 contributions. As its predecessors (Rostock 1999, Dresden 2002, Kiel 2005, Glasgow 2009, Jyväskylä 2012) did, the conference succeeded in gathering different communities for the exchange of recent developments and results. Among the topics of the conference, we mention approaches for strongly correlated systems, improvements of existing perturbative many-body schemes, electron-phonon/-photon interactions in time-dependent treatments, numerical scalability of NEGF approaches, connections with other non-equilibrium methods and concrete physical applications. For the latter, we mention quantum transport, semiconductor kinetics, multiply excited states in atoms and ions, nuclear reactions, high energy physics, quantum cascade lasers, strongly correlated model systems, graphene-nanostructures, optoelectronics, superconductors, spin-dynamics, photovoltaics, excitations in atoms and ions and time-resolved spectroscopy. The present volume contains 20 articles from participants of PNGF6, devoted to these topics. Compared to previous conferences, a completely novel and successful aspect of PNGF6 was the participation of experimentalists among the invited speakers, to establish a connection between emerging experimental techniques (for example, time-dependent spectroscopies) and the theoretical NEGF community. As at the previous PNGF conferences, the atmosphere was friendly and exciting at the same time, favoring vivid and stimulating discussions among experienced scientists, young researchers and students. The conference would not have been

Non-equilibrium coupling of protein structure and function to translation-elongation kinetics.

Science.gov (United States)

Sharma, Ajeet K; O'Brien, Edward P

2018-04-01

Protein folding research has been dominated by the assumption that thermodynamics determines protein structure and function. And that when the folding process is compromised in vivo the proteostasis machinery-chaperones, deaggregases, the proteasome-work to restore proteins to their soluble, functional form or degrade them to maintain the cellular pool of proteins in a quasi-equilibrium state. During the past decade, however, more and more proteins have been identified for which altering only their speed of synthesis alters their structure and function, the efficiency of the down-stream processes they take part in, and cellular phenotype. Indeed, evidence has emerged that evolutionary selection pressures have encoded translation-rate information into mRNA molecules to coordinate diverse co-translational processes. Thus, non-equilibrium physics can play a fundamental role in influencing nascent protein behavior, mRNA sequence evolution, and disease. Here, we discuss how our understanding of this phenomenon is being advanced by the application of theoretical tools from the physical sciences. Copyright © 2018 Elsevier Ltd. All rights reserved.

Universality in equilibrium and away from it: A personal perspective

International Nuclear Information System (INIS)

Munoz, Miguel A.

2011-01-01

In this talk/paper I discuss the concept of universality in phase transitions and the question of whether universality classes are more robust in equilibrium than away from it. In both of these situations, the main ingredients determining universality are symmetries, conservation laws, the dimension of the space and of the order-parameter and the presence of long-range interactions or quenched disorder. The existence of detailed-balance and fluctuation-dissipation theorems imposes severe constraints on equilibrium systems, allowing to define universality classes in a very robust way; instead, non-equilibrium allows for more variability. Still, quite robust non-equilibrium universality classes have been identified in the last decades. Here, I discuss some examples in which (i) non-equilibrium phase transitions are simply controlled by equilibrium critical points, i.e. non-equilibrium ingredients turn out to be irrelevant in the renormalization group sense and (ii) non-equilibrium situations in which equilibrium seems to come out of the blue, generating an adequate effective description of intrinsically non-equilibrium problems. Afterwards, I shall describe different genuinely non-equilibrium phase transitions in which introducing small, apparently innocuous changes (namely: presence or absence of an underlying lattice, parity conservation in the overall number of particles, existence of an un-accessible vacuum state, deterministic versus stochastic microscopic rules, presence or absence of a Fermionic constraint), the critical behavior is altered, making the case for lack of robustness. However, it will be argued that in all these examples, there is an underlying good reason (in terms of general principles) for universality to be altered. The final conclusions are that: (i) robust universality classes exist both in equilibrium and non-equilibrium; (ii) symmetry and conservation principles are crucial in both, (iii) non-equilibrium allows for more variability (i

Demonstration of the Kibble-Zurek mechanism in a non-equilibrium phase transition

Science.gov (United States)

Patil, Yogesh S.; Cheung, Hil F. H.; Date, Aditya G.; Vengalattore, Mukund

2017-04-01

We describe the experimental realization of a driven-dissipative phase transition (DPT) in a mechanical parametric amplifier and demonstrate key signatures of a critical point in the system, where the susceptibilities and relaxation time scales diverge and coincide with the spontaneous breaking of symmetry and the emergence of macroscopic order. While these observations are reminiscent of equilibrium phase transitions, it is presently an open question whether such DPTs are amenable to the conventional Landau-Ginsburg-Wilson paradigm that relies on concepts of scale invariance and universality - Indeed, recent theoretical work has predicted that DPTs can exhibit phenomenology that departs from these conventional paradigms. By quenching the system past the critical point, we measure the dynamics of the emergent ordered phase and its departure from adiabaticity, and find that our measurements are in excellent agreement with the Kibble-Zurek hypothesis. In addition to validating the KZ mechanism in a DPT for the first time, we also uniquely show that the measured critical exponents accurately reflect the interplay between the intrinsic coherent dynamics and the environmental correlations, with a clear departure from mean field exponents in the case of non-Markovian system-bath interactions. We also discuss how the techniques of reservoir engineering and the imposition of artificial environmental correlations can result in the stabilization of novel many-body quantum phases and exotic non-equilibrium states of matter.

Kinetics of a plasma streamer ionization front

Science.gov (United States)

Taccogna, Francesco; Pellegrini, Fabrizio

2018-02-01

A streamer is a non-linear and non-local gas breakdown mode. Its large-scale coherent structures, such as the ionization front, are the final results of a hierarchical cascade starting from the single particle dynamics. Therefore, this phenomenon covers, by definition, different space and time scales. In this study, we have reproduced the ionization front formation and development by means of a particle-based numerical methodology. The physical system investigated concerns of a high-voltage ns-pulsed surface dielectric barrier discharge. Different reduced electric field regimes ranging from 50 to 500 Td have been considered for two gases: pure atomic Ar and molecular N2. Results have shown the detailed structure of the negative streamer: the leading edge, the head, the interior and the tail. Its dynamical evolution and the front propagation velocity have been calculated for the different cases. Finally, the deviation of the electron energy distribution function from equilibrium behavior has been pointed out as a result of a fast and very localized phenomenon.

Communication: Influence of external static and alternating electric fields on water from long-time non-equilibrium ab initio molecular dynamics

Science.gov (United States)

Futera, Zdenek; English, Niall J.

2017-07-01

The response of water to externally applied electric fields is of central relevance in the modern world, where many extraneous electric fields are ubiquitous. Historically, the application of external fields in non-equilibrium molecular dynamics has been restricted, by and large, to relatively inexpensive, more or less sophisticated, empirical models. Here, we report long-time non-equilibrium ab initio molecular dynamics in both static and oscillating (time-dependent) external electric fields, therefore opening up a new vista in rigorous studies of electric-field effects on dynamical systems with the full arsenal of electronic-structure methods. In so doing, we apply this to liquid water with state-of-the-art non-local treatment of dispersion, and we compute a range of field effects on structural and dynamical properties, such as diffusivities and hydrogen-bond kinetics.

Non-equilibrium work distribution for interacting colloidal particles under friction

International Nuclear Information System (INIS)

Gomez-Solano, Juan Ruben; July, Christoph; Mehl, Jakob; Bechinger, Clemens

2015-01-01

We experimentally investigate the non-equilibrium steady-state distribution of the work done by an external force on a mesoscopic system with many coupled degrees of freedom: a colloidal crystal mechanically driven across a commensurate periodic light field. Since this system mimics the spatiotemporal dynamics of a crystalline surface moving on a corrugated substrate, our results show general properties of the work distribution for atomically flat surfaces undergoing friction. We address the role of several parameters which can influence the shape of the work distribution, e.g. the number of particles used to locally probe the properties of the system and the time interval to measure the work. We find that, when tuning the control parameters to induce particle depinning from the substrate, there is an abrupt change of the shape of the work distribution. While in the completely static and sliding friction regimes the work distribution is Gaussian, non-Gaussian tails show up due to the spatiotemporal heterogeneity of the particle dynamics during the transition between these two regimes. (paper)

Surface-ionization field mass-spectrometry studies of nonequilibrium surface ionization

International Nuclear Information System (INIS)

Blashenkov, Nikolai M; Lavrent'ev, Gennadii Ya

2007-01-01

The ionization of polyatomic molecules on tungsten and tungsten oxide surfaces is considered for quasiequilibrium or essentially nonequilibrium conditions (in the latter case, the term nonequilibrium surface ionization is used for adsorbate ionization). Heterogeneous reactions are supposed to proceed through monomolecular decay of polyatomic molecules or fragments of multimolecular complexes. The nonequilibrium nature of these reactions is established. The dependences of the current density of disordered ions on the surface temperature, electric field strength, and ionized particle energy distribution are obtained in analytical form. Heterogeneous dissociation energies, the ionization potentials of radicals, and the magnitude of reaction departure from equilibrium are determined from experimental data, as are energy exchange times between reaction products and surfaces, the number of molecules in molecular complexes, and the number of effective degrees of freedom in molecules and complexes. In collecting the data a new technique relying on surface-ionization field mass-spectrometry was applied. (instruments and methods of investigation)

Novel target configurations for selective ionization state studies in molybdenum

International Nuclear Information System (INIS)

Ilcisin, K.J.; Feldman, U.; Schwob, J.L.; Wouters, A.; Suckewer, S.; Princeton Univ., NJ

1990-03-01

Details of experiments aimed at achieving low ionization state selectivity in molybdenum are presented. Targets are excited with a 10 J CO 2 laser and the resultant VUV spectrum (300--700 Angstrom) has been studied. Combinations of focal spot size, target depth, and target geometries are compared. Simple attenuation of energy is shown not to vary ionization stage composition significantly. Experiments conducted with grazing incidence targets result only in a hot plasma. Modular targets with cooling cylinders of various radii demonstrated good selectivity of the ionization states, but with low absolute signals. Finally, results from combinations of focal spot adjustment and radiative cooling illustrate increased control over desired plasma temperature and density for spectroscopic studies of molybdenum. 7 refs., 14 figs

Fast non-linear extraction of plasma equilibrium parameters using a neural network mapping

International Nuclear Information System (INIS)

Lister, J.B.; Schnurrenberger, H.

1991-01-01

The shaping of non-circular plasmas requires a non-linear mapping between the measured diagnostic signals and selected equilibrium parameters. The particular configuration of neural network known as the multilayer perceptron provides a powerful and general technique for formulating an arbitrary continuous non-linear multi-dimensional mapping. This technique has been successfully applied to the extraction of equilibrium parameters from measurements of single-null diverted plasmas in the DIII-D tokamak; the results are compared with a purely linear mapping. The method is promising, and hardware implementation is straightforward. (author). 17 refs, 8 figs, 2 tab

Radiation-induced non-equilibrium redox chemistry of plutonium: implications for environmental migration

International Nuclear Information System (INIS)

Haschke, J.M.; Siekhaus, W.J.

2009-01-01

Static concentrations of plutonium oxidation states in solution and at surfaces in oxide-water systems are identified as non-equilibrium steady states. These kinetically controlled systems are described by redox cycles based on irreversible disproportionation of Pu(IV), Pu(V), and Pu(VI) in OH-bridged intermediate complexes and at OH-covered oxide surfaces. Steady state is fixed by continuous redox cycles driven by radioactivity-promoted electron-transfer and energetically favorable reactions of Pu(III) and Pu(VII) disproportionation products with H2O. A model based on the redox cycles accounts for the high steady-state (Pu) coexisting with Pu(IV) hydrous oxide at pH 0-15 and for predominance of Pu(V) and Pu(VI) in solution. The steady-state (Pu) depends on pH and the surface area of oxide in solution, but not on the initial Pu oxidation state. PuO 2+x formation is attributed to high Pu(V) concentrations existing at water-exposed oxide surfaces. Results infer that migration of Pu in an aqueous environment is controlled by kinetic factors unique to that site and that the predominant oxidation states in solution are Pu(V) and Pu(VI)

Statistical equilibrium calculations for silicon in early-type model stellar atmospheres

International Nuclear Information System (INIS)

Kamp, L.W.

1976-02-01

Line profiles of 36 multiplets of silicon (Si) II, III, and IV were computed for a grid of model atmospheres covering the range from 15,000 to 35,000 K in effective temperature and 2.5 to 4.5 in log (gravity). The computations involved simultaneous solution of the steady-state statistical equilibrium equations for the populations and of the equation of radiative transfer in the lines. The variables were linearized, and successive corrections were computed until a minimal accuracy of 1/1000 in the line intensities was reached. The common assumption of local thermodynamic equilibrium (LTE) was dropped. The model atmospheres used also were computed by non-LTE methods. Some effects that were incorporated into the calculations were the depression of the continuum by free electrons, hydrogen and ionized helium line blocking, and auto-ionization and dielectronic recombination, which later were found to be insignificant. Use of radiation damping and detailed electron (quadratic Stark) damping constants had small but significant effects on the strong resonance lines of Si III and IV. For weak and intermediate-strength lines, large differences with respect to LTE computations, the results of which are also presented, were found in line shapes and strengths. For the strong lines the differences are generally small, except for the models at the hot, low-gravity extreme of the range. These computations should be useful in the interpretation of the spectra of stars in the spectral range B0--B5, luminosity classes III, IV, and V

Non-equilibrium microwave plasma for efficient high temperature chemistry

NARCIS (Netherlands)

van den Bekerom, D.C.M.; den Harder, N.; Minea, T.; Palomares Linares, J.M.; Bongers, W.; van de Sanden, M.C.M.; van Rooij, G.J.

2017-01-01

This article describes a flowing microwave reactor that is used to drive efficient non-equilibrium chemistry for the application of conversion/activation of stable molecules such as CO2, N2 and CH4. The goal of the procedure described here is to measure the in situ gas temperature and gas

A New Equilibrium State for Singly Synchronous Binary Asteroids

Science.gov (United States)

Golubov, Oleksiy; Unukovych, Vladyslav; Scheeres, Daniel J.

2018-04-01

The evolution of rotation states of small asteroids is governed by the Yarkovsky–O’Keefe–Radzievskii–Paddack (YORP) effect, nonetheless some asteroids can stop their YORP evolution by attaining a stable equilibrium. The same is true for binary asteroids subjected to the binary YORP (BYORP) effect. Here we discuss a new type of equilibrium that combines these two, which is possible in a singly synchronous binary system. This equilibrium occurs when the normal YORP, the tangential YORP, and the BYORP compensate each other, and tidal torques distribute the angular momentum between the components of the system and dissipate energy. If unperturbed, such a system would remain singly synchronous in perpetuity with constant spin and orbit rates, as the tidal torques dissipate the incoming energy from impinging sunlight at the same rate. The probability of the existence of this kind of equilibrium in a binary system is found to be on the order of a few percent.

Fluorescence lifetime components reveal kinetic intermediate states upon equilibrium denaturation of carbonic anhydrase II.

Science.gov (United States)

Nemtseva, Elena V; Lashchuk, Olesya O; Gerasimova, Marina A; Melnik, Tatiana N; Nagibina, Galina S; Melnik, Bogdan S

2017-12-21

In most cases, intermediate states of multistage folding proteins are not 'visible' under equilibrium conditions but are revealed in kinetic experiments. Time-resolved fluorescence spectroscopy was used in equilibrium denaturation studies. The technique allows for detecting changes in the conformation and environment of tryptophan residues in different structural elements of carbonic anhydrase II which in its turn has made it possible to study the intermediate states of carbonic anhydrase II under equilibrium conditions. The results of equilibrium and kinetic experiments using wild-type bovine carbonic anhydrase II and its mutant form with the substitution of leucine for alanine at position 139 (L139A) were compared. The obtained lifetime components of intrinsic tryptophan fluorescence allowed for revealing that, the same as in kinetic experiments, under equilibrium conditions the unfolding of carbonic anhydrase II ensues through formation of intermediate states.

Equilibrium states and ground state of two-dimensional fluid foams

International Nuclear Information System (INIS)

Graner, F.; Jiang, Y.; Janiaud, E.; Flament, C.

2001-01-01

We study the equilibrium energies of two-dimensional (2D) noncoarsening fluid foams, which consist of bubbles with fixed areas. The equilibrium states correspond to local minima of the total perimeter. We present a theoretical derivation of energy minima; experiments with ferrofluid foams, which can be either highly distorted, locally relaxed, or globally annealed; and Monte Carlo simulations using the extended large-Q Potts model. For a dry foam with small size variance we develop physical insight and an electrostatic analogy, which enables us to (i) find an approximate value of the global minimum perimeter, accounting for (small) area disorder, the topological distribution, and physical boundary conditions; (ii) conjecture the corresponding pattern and topology: small bubbles sort inward and large bubbles sort outward, topological charges of the same signs ''repel'' while charges of the opposite signs ''attract;'' (iii) define local and global markers to determine directly from an image how far a foam is from its ground state; (iv) conjecture that, in a local perimeter minimum at prescribed topology, the pressure distribution and thus the edge curvature are unique. Some results also apply to 3D foams

Non-equilibrium effects of core-cooling and time-dependent internal heating on mantle flush events

Directory of Open Access Journals (Sweden)

D. A. Yuen

1995-01-01

Full Text Available We have examined the non-equilibrium effects of core-cooling and time-dependent internal-heating on the thermal evolution of the Earth's mantle and on mantle flush events caused by the two major phase transitions. Both two- and three-dimensional models have been employed. The mantle viscosity responds to the secular cooling through changes in the averaged temperature field. A viscosity which decreases algebraically with the average temperature has been considered. The time-dependent internal-heating is prescribed to decrease exponentially with a single decay time. We have studied the thermal histories with initial Rayleigh numbers between 2 x 107 and 108 . Flush events, driven by the non-equilibrium forcings, are much more dramatic than those produced by the equilibrium boundary conditions and constant internal heating. Multiple flush events are found under non-equilibrium conditions in which there is very little internal heating or very fast decay rates of internal-heating. Otherwise, the flush events take place in a relatively continuous fashion. Prior to massive flush events small-scale percolative structures appear in the 3D temperature fields. Time-dependent signatures, such as the surface heat flux, also exhibits high frequency oscillatory patterns prior to massive flush events. These two observations suggest that the flush event may be a self-organized critical phenomenon. The Nusselt number as a function of the time-varying Ra does not follow the Nusselt vs. Rayleigh number power-law relationship based on equilibrium (constant temperature boundary conditions. Instead Nu(t may vary non-monotonically with time because of the mantle flush events. Convective processes in the mantle operate quite differently under non-equilibrium conditions from its behaviour under the usual equilibrium situations.

Accuracy of the calculations of the ionization-state densities in a steady-state plasma

International Nuclear Information System (INIS)

Salzmann, D.

1980-01-01

A quantitative definition is given to the accuracy of the computation of the partial densities of the ionization states in a steady-state plasma when there is an inaccuracy in the rate coefficients used in the rate equation. It is found that the partial density of the most abundant ion species is almost independent of the exact form of the rate coefficients, but large errors may occur for the rare species. The effect of the variation of the total ion density on the partial densities is also calculated. For low-ion densities the partial ionization-state densities grow proportionally to the change of the total density, but at high densities there is an alteration of the charge-state distribution as well

Comet assay as a procedure for detecting possible genotoxicity induced by non-ionizing radiation

Directory of Open Access Journals (Sweden)

Zsuzsanna Nemeth

2015-05-01

In our laboratory we use comet assay for testing genotoxicity of non-ionizing radiation for more than ten years. In the experiments we use whole blood samples (human or dog, cell lines (e.g. H295R cell line or 3 dimensional in vitro skin tissue (epidermis models. In our protocol a slightly modified alkaline Comet assay method of Singh et al. (1988 is used. On our poster there will be presented a brief summary of our experiments with exposure to different types of radiation (ELF, RF, and intermediate frequency. In our protocols the non-ionizing radiation was often combined with ionizing radiation to see whether the non-ionizing radiation can influence the repair of the DNA damage induced by ionizing radiation. For the evaluation of the slides mainly Komet 4.0 image analysis system software (Kinetic Imaging, Liverpool, UK was used, but as we got familiarized with other methods for slide evaluation like grading the comets by visual scoring into 5 categories or the CaspLab software, the comparison of these three methods will be also presented.

Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD{sub 3}CN treated with a parallel multi-state EVB model

Energy Technology Data Exchange (ETDEWEB)

Glowacki, David R., E-mail: drglowacki@gmail.com [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Department of Computer Science, University of Bristol, Bristol BS8 1UB (United Kingdom); PULSE Institute and Department of Chemistry, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Orr-Ewing, Andrew J. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Harvey, Jeremy N. [Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Heverlee (Belgium)

2015-07-28

We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD{sub 3}CN → DF + CD{sub 2}CN reaction in CD{sub 3}CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD{sub 3}CN solvent, equilibrium power spectra of DF in CD{sub 3}CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol{sup −1} localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD{sub 3}CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational

Use of non-ionizing electromagnetic fields for the treatment of cancer.

Science.gov (United States)

Jimenez, Hugo; Blackman, Carl; Lesser, Glenn; Debinski, Waldemar; Chan, Michael; Sharma, Sambad; Watabe, Kounosuke; Lo, Hui-Wen; Thomas, Alexandra; Godwin, Dwayne; Blackstock, William; Mudry, Albert; Posey, James; O'Connor, Rodney; Brezovich, Ivan; Bonin, Keith; Kim-Shapiro, Daniel; Barbault, Alexandre; Pasche, Boris

2018-01-01

Cancer treatment and treatment options are quite limited in circumstances such as when the tumor is inoperable, in brain cancers when the drugs cannot penetrate the blood-brain-barrier, or when there is no tumor-specific target for generation of effective therapeutic antibodies. Despite the fact that electromagnetic fields (EMF) in medicine have been used for therapeutic or diagnostic purposes, the use of non-ionizing EMF for cancer treatment is a new emerging concept. Here we summarize the history of EMF from the 1890's to the novel and new innovative methods that target and treat cancer by non-ionizing radiation.

Towards non-sequential double ionization of Ne and Ar using a femtosecond laser oscillator.

Science.gov (United States)

Liu, Yunquan; Tschuch, Sebastian; Dürr, Martin; Rudenko, Artem; Moshammer, Robert; Ullrich, Joachim; Siegel, Martin; Morgner, Uwe

2007-12-24

We report on first proof-of-principles results on non-sequential double ionization of argon and neon achieved by using a newly developed long-cavity Ti:sapphire femtosecond oscillator with a pulse duration of 45 fs and a repetition of 6.2 MHz combined with a dedicated reaction microscope. Under optimized experimental conditions, peak intensities larger than 2.310(14) W/cm(2) have been achieved. Ion momentum distributions were recorded for both rare gases and show significantly different features for single as well as for double ionization. For single ionization of neon a spike of zero-momentum electrons is found when decreasing the laser intensity towards the lowest ionization rate we can measure which is attributed to a non-resonant ionization channel. As to double ionization, the longitudinal momentum distribution for Ne(2+) displays a clear double-hump structure whereas this feature is found to be smoothened out with a maximum at zero momentum for Ar(2+).

Leaching from MSWI bottom ash: Evaluation of non-equilibrium in column percolation experiments

DEFF Research Database (Denmark)

Hyks, Jiri; Astrup, Thomas; Christensen, Thomas Højlund

2009-01-01

-equilibrium-induced changes in the solubility control. Despite both physical and chemical non-equilibrium, the Columns were found to provide adequate information for readily soluble compounds (i.e., Na, Cl-, and K) and solubility-controlled elements (i.e., Ca, SO42-, Ba, Si, Al, Zn, and Pb). The leaching Of Cu and Ni...... was shown to depend strongly on DOC leaching, which was likely affected by physical non-equilibrium during flow interruptions. Consequently, the leaching of Cu and Ni in the undisturbed Columns Was shown to be by about one order of magnitude lower compared with the interrupted column. The results indicate...... in turn appeared to be controlled by diffusion from the stagnant zone: no Mo controlling minerals were predicted by the geochemical modeling....

On Nash Equilibrium and Evolutionarily Stable States That Are Not Characterised by the Folk Theorem.

Directory of Open Access Journals (Sweden)

Jiawei Li

Full Text Available In evolutionary game theory, evolutionarily stable states are characterised by the folk theorem because exact solutions to the replicator equation are difficult to obtain. It is generally assumed that the folk theorem, which is the fundamental theory for non-cooperative games, defines all Nash equilibria in infinitely repeated games. Here, we prove that Nash equilibria that are not characterised by the folk theorem do exist. By adopting specific reactive strategies, a group of players can be better off by coordinating their actions in repeated games. We call it a type-k equilibrium when a group of k players coordinate their actions and they have no incentive to deviate from their strategies simultaneously. The existence and stability of the type-k equilibrium in general games is discussed. This study shows that the sets of Nash equilibria and evolutionarily stable states have greater cardinality than classic game theory has predicted in many repeated games.

On Nash Equilibrium and Evolutionarily Stable States That Are Not Characterised by the Folk Theorem

Science.gov (United States)

Li, Jiawei; Kendall, Graham

2015-01-01

In evolutionary game theory, evolutionarily stable states are characterised by the folk theorem because exact solutions to the replicator equation are difficult to obtain. It is generally assumed that the folk theorem, which is the fundamental theory for non-cooperative games, defines all Nash equilibria in infinitely repeated games. Here, we prove that Nash equilibria that are not characterised by the folk theorem do exist. By adopting specific reactive strategies, a group of players can be better off by coordinating their actions in repeated games. We call it a type-k equilibrium when a group of k players coordinate their actions and they have no incentive to deviate from their strategies simultaneously. The existence and stability of the type-k equilibrium in general games is discussed. This study shows that the sets of Nash equilibria and evolutionarily stable states have greater cardinality than classic game theory has predicted in many repeated games. PMID:26288088

Study of ionization process of matrix molecules in matrix-assisted laser desorption ionization

Energy Technology Data Exchange (ETDEWEB)

Murakami, Kazumasa; Sato, Asami; Hashimoto, Kenro; Fujino, Tatsuya, E-mail: fujino@tmu.ac.jp

2013-06-20

Highlights: ► Proton transfer and adduction reaction of matrix in MALDI were studied. ► Hydroxyl group forming intramolecular hydrogen bond was related to the ionization. ► Intramolecular proton transfer in the electronic excited state was the initial step. ► Non-volatile analytes stabilized protonated matrix in the ground state. ► A possible mechanism, “analyte support mechanism”, has been proposed. - Abstract: Proton transfer and adduction reaction of matrix molecules in matrix-assisted laser desorption ionization were studied. By using 2,4,6-trihydroxyacetophenone (THAP), 2,5-dihydroxybenzoic acid (DHBA), and their related compounds in which the position of a hydroxyl group is different, it was clarified that a hydroxyl group forming an intramolecular hydrogen bond is related to the ionization of matrix molecules. Intramolecular proton transfer in the electronic excited state of the matrix and subsequent proton adduction from a surrounding solvent to the charge-separated matrix are the initial steps for the ionization of matrix molecules. Nanosecond pump–probe NIR–UV mass spectrometry confirmed that the existence of analyte molecules having large dipole moment in their structures is necessary for the stabilization of [matrix + H]{sup +} in the electronic ground state.

Existence of equilibrium states of hollow elastic cylinders submerged in a fluid

Directory of Open Access Journals (Sweden)

M. B. M. Elgindi

1992-01-01

Full Text Available This paper is concerned with the existence of equilibrium states of thin-walled elastic, cylindrical shell fully or partially submerged in a fluid. This problem obviously serves as a model for many problems with engineering importance. Previous studies on the deformation of the shell have assumed that the pressure due to the fluid is uniform. This paper takes into consideration the non-uniformity of the pressure by taking into account the effect of gravity. The presence of a pressure gradient brings additional parameters to the problem which in turn lead to the consideration of several boundary value problems.

Grinding kinetics and equilibrium states

Science.gov (United States)

Opoczky, L.; Farnady, F.

1984-01-01

The temporary and permanent equilibrium occurring during the initial stage of cement grinding does not indicate the end of comminution, but rather an increased energy consumption during grinding. The constant dynamic equilibrium occurs after a long grinding period indicating the end of comminution for a given particle size. Grinding equilibrium curves can be constructed to show the stages of comminution and agglomeration for certain particle sizes.

Immunomodulation of classical and non-classical HLA molecules by ionizing radiation.

Science.gov (United States)

Gallegos, Cristina E; Michelin, Severino; Dubner, Diana; Carosella, Edgardo D

2016-05-01

Radiotherapy has been employed for the treatment of oncological patients for nearly a century, and together with surgery and chemotherapy, radiation oncology constitutes one of the three pillars of cancer therapy. Ionizing radiation has complex effects on neoplastic cells and on tumor microenvironment: beyond its action as a direct cytotoxic agent, tumor irradiation triggers a series of alterations in tumoral cells, which includes the de novo synthesis of particular proteins and the up/down-regulation of cell surface molecules. Additionally, ionizing radiation may induce the release of "danger signals" which may, in turn lead to cellular and molecular responses by the immune system. This immunomodulatory action of ionizing radiation highlights the importance of the combined use (radiotherapy plus immunotherapy) for cancer healing. Major histocompatibility complex antigens (also called Human Leukocyte Antigens, HLA in humans) are one of those molecules whose expression is modulated after irradiation. This review summarizes the modulatory properties of ionizing radiation on the expression of HLA class I (classical and non-classical) and class II molecules, with special emphasis in non-classical HLA-I molecules. Copyright © 2016 Elsevier Inc. All rights reserved.

Phase and ellipticity dependence of the photoelectron angular distribution in non-resonant two-photon ionization of atomic hydrogen. I

International Nuclear Information System (INIS)

Faye, M; Wane, S T

2011-01-01

We study the ellipticity and the dependence on the phase lag (lead) (between the semimajor and the semiminor axes of the field components) of the photoelectron angular distribution (PAD) in the non-resonant two-photon ionization of atomic hydrogen. We establish exact analytical expressions for azimuthal PAD for 3s, 3p and 3d excited initial states, marked by the occurrence of an asymmetric term. This term gives rise to elliptic dichroism (ED), which can be obtained in two ways: either with the left (versus right) ellipticity, or with the phase lag (versus lead); for 3s and 3p initial states, it is shown that the quantum phase of continua is directly related to the phase lag, one-photon below-threshold ionization, and indirectly one photon above. Another important result is that the magnetic sublevels, m = 0, for 3p and m = ±1, for 3d, do not contribute to the azimuthal PAD. Our numerical results show, for 3s and 3d, and near-threshold ionization, that the PAD has maxima either along the semimajor or the semiminor axis, while for above-threshold ionization, they are always shifted from these axes. However, the maxima of the corresponding ED coincide with the PAD maxima, while for 3p, they are shifted from the PAD minima. A strong dependence of the ED sign is noted, regardless of the state or the process. However, strong ED signals are obtained for the 3s initial state and below-threshold ionization.

Phase and ellipticity dependence of the photoelectron angular distribution in non-resonant two-photon ionization of atomic hydrogen. I

Energy Technology Data Exchange (ETDEWEB)

Faye, M; Wane, S T, E-mail: mamadou.faye@ucad.edu.sn [Departement de Physique, Faculte des Sciences et Techniques, Universite Cheikh Anta Diop, Boulevard Martin Luther King, (Corniche Ouest) BP 5005-Dakar Fann (Senegal)

2011-03-14

We study the ellipticity and the dependence on the phase lag (lead) (between the semimajor and the semiminor axes of the field components) of the photoelectron angular distribution (PAD) in the non-resonant two-photon ionization of atomic hydrogen. We establish exact analytical expressions for azimuthal PAD for 3s, 3p and 3d excited initial states, marked by the occurrence of an asymmetric term. This term gives rise to elliptic dichroism (ED), which can be obtained in two ways: either with the left (versus right) ellipticity, or with the phase lag (versus lead); for 3s and 3p initial states, it is shown that the quantum phase of continua is directly related to the phase lag, one-photon below-threshold ionization, and indirectly one photon above. Another important result is that the magnetic sublevels, m = 0, for 3p and m = {+-}1, for 3d, do not contribute to the azimuthal PAD. Our numerical results show, for 3s and 3d, and near-threshold ionization, that the PAD has maxima either along the semimajor or the semiminor axis, while for above-threshold ionization, they are always shifted from these axes. However, the maxima of the corresponding ED coincide with the PAD maxima, while for 3p, they are shifted from the PAD minima. A strong dependence of the ED sign is noted, regardless of the state or the process. However, strong ED signals are obtained for the 3s initial state and below-threshold ionization.

Coupling of Higgs and Leggett modes in non-equilibrium superconductors.

Science.gov (United States)

Krull, H; Bittner, N; Uhrig, G S; Manske, D; Schnyder, A P

2016-06-21

In equilibrium systems amplitude and phase collective modes are decoupled, as they are mutually orthogonal excitations. The direct detection of these Higgs and Leggett collective modes by linear-response measurements is not possible, because they do not couple directly to the electromagnetic field. In this work, using numerical exact simulations we show for the case of two-gap superconductors, that optical pump-probe experiments excite both Higgs and Leggett modes out of equilibrium. We find that this non-adiabatic excitation process introduces a strong interaction between the collective modes, which is absent in equilibrium. Moreover, we propose a type of pump-probe experiment, which allows to probe and coherently control the Higgs and Leggett modes, and thus the order parameter directly. These findings go beyond two-band superconductors and apply to general collective modes in quantum materials.

Phase coexistence in thin liquid films stabilized by colloidal particles: equilibrium and non-equilibrium properties

International Nuclear Information System (INIS)

Blawzdziewicz, J.; Wajnryb, E.

2005-01-01

Phase equilibria between regions of different thickness in thin liquid films stabilized by colloidal particles are investigated using a quasi-two-dimensional thermodynamic formalism. Appropriate equilibrium conditions for the film tension, normal pressure, and chemical potential of the particles in the film are formulated, and it is shown that the relaxation of these parameters occurs consecutively on three distinct time scales. Film stratification is described quantitatively for a hard-sphere suspension using a Monte-Carlo method to evaluate thermodynamic equations of state. Coexisting phases are determined for systems in constrained- and full-equilibrium states that correspond to different stages of film relaxation. We also evaluated the effective viscosity coefficients for two-dimensional compressional and shear flows of a film and the self and collective mobility coefficients of the stabilizing particles. The hydrodynamic calculations were performed using a multiple-reflection representation of Stokes flow between two free surfaces. In this approach, the particle-laden film is equivalent to a periodic system of spheres with a unit cell that is much smaller in the transverse direction than in the lateral direction. (author)

Studying effects of non-equilibrium radiative transfer via HPC

Energy Technology Data Exchange (ETDEWEB)

Holladay, Daniel [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2018-01-24

This report presents slides on Ph.D. Research Goals; Local Thermodynamic Equilibrium (LTE) Implications; Calculating an Opacity; Opacity: Pictographic Representation; Opacity: Pictographic Representation; Opacity: Pictographic Representation; Collisional Radiative Modeling; Radiative and Collisional Excitation; Photo and Electron Impact Ionization; Autoionization; The Rate Matrix; Example: Total Photoionization rate; The Rate Coefficients; inlinlte version 1.1; inlinlte: Verification; New capabilities: Rate Matrix – Flexibility; Memory Option Comparison; Improvements over previous DCA solver; Inter- and intra-node load balancing; Load Balance – Full Picture; Load Balance – Full Picture; Load Balance – Internode; Load Balance – Scaling; Description; Performance; xRAGE Simulation; Post-process @ 2hr; Post-process @ 4hr; Post-process @ 8hr; Takeaways; Performance for 1 realization; Motivation for QOI; Multigroup Er; Transport and NLTE large effects (1mm, 1keV); Transport large effect, NLTE lesser (1mm, 750eV); Blastwave Diagnostici – Description & Performance; Temperature Comparison; NLTE has effect on dynamics at wall; NLTE has lesser effect in the foam; Global Takeaways; The end.

Economically attractive features of steady-state neoclassical reversed field pinch equilibrium with low aspect ratio

International Nuclear Information System (INIS)

Shiina, S.; Yagi, Y.; Sugimoto, H.; Ashida, H.; Hirano, Y.; Koguchi, H.; Sakakita, H.; Taguchi, M.; Nagamine, Y.; Osanai, Y.; Saito, K.; Watanabe, M.; Aizawa, M.

2005-01-01

Dominant plasma self-induced current equilibrium is achieved together with the high β for the steady-state neoclassical reversed field pinch (RFP) equilibrium with low aspect ratio by broadening the plasma pressure profile. The RF-driven current, when the safety factor is smaller than unity, is much less than the self-induced current, which dominates (96%) the toroidal current. This neoclassical RFP equilibrium has strong magnetic shear or a high-stability beta (β t = 63%) due to its hollow current profile. It is shown that the obtained equilibrium is close to the relaxed-equilibrium state with a minimum energy, and is also robust against microinstabilities. These attractive features allow the economical design of compact steady-state fusion power plants with low cost of electricity (COE). (author)

Ionization equilibrium and equation of state in the solar interior

International Nuclear Information System (INIS)

Rogers, F.J.

1984-01-01

Many-body formulations of the equations of state are restated as a set of Saha-like equations. It is shown that the resulting equations are unique and convergent. These equations are similar to the usual Saha equations to the order of the Debye-Huckel theory. Higher order corrections, however, require a more general formulation. It is demonstrated that the positive free energy resulting from the interaction of unscreened particles in high orbits depletes the occupation of these states, without the introduction of shifted energy levels

Violations of local equilibrium and linear response in classical lattice systems

International Nuclear Information System (INIS)

Aoki, Kenichiro; Kusnezov, Dimitri

2003-01-01

We quantitatively and systematically analyze how local equilibrium, and linear response in transport are violated as systems move far from equilibrium. This is done by studying heat flow in classical lattice models with and without bulk transport behavior, in 1-3 dimensions, at various temperatures. Equations of motion for the system are integrated numerically to construct the non-equilibrium steady states. Linear response and local equilibrium assumptions are seen to break down in a similar manner. We quantify the breakdown through the analysis of both microscopic and macroscopic observables and examine its transformation properties under general redefinitions of the non-equilibrium temperature

Extended irreversible thermodynamics and non-equilibrium temperature

Directory of Open Access Journals (Sweden)

Casas-Vazquez, Jose'

2008-02-01

Full Text Available We briefly review the concept of non-equilibrium temperature from the perspectives of extended irreversible thermodynamics, fluctuation theory, and statistical mechanics. The relations between different proposals are explicitly examined in two especially simple systems: an ideal gas in steady shear flow and a forced harmonic oscillator in a thermal bath. We examine with special detail temperatures related to the average molecular kinetic energy along different spatial directions, to the average configurational energy, to the derivative of the entropy with respect to internal energy, to fluctuation-dissipation relation and discuss their measurement.

Non-equilibrium turbulence scalings in turbulent planar jets

Science.gov (United States)

Cafiero, Gioacchino; Vassilicos, John Christos; Turbulence, Mixing; Flow Control Group Team

2017-11-01

A revised version of the Townsend George theory, as proposed by Dairay et al. 2015, is applied to the study of turbulent planar jets (Cafiero and Vassilicos 2017). Requiring the self-similarity of only few quantities along with the non-equilibrium dissipation scaling law (Vassilicos 2015), it implies new mean flow and jet width scalings. In particular, the ratio of characteristic cross-stream to centreline streamwise velocities decays as the -1/3 power of streamwise distance in the region where the non-equilibrium dissipation scaling holds. In the definition of Cɛ both in Dairay et al. 2015 and in Cafiero and Vassilicos 2017 the local Reynolds number is based on the local flow width rather than on the integral lengthscale. We verify that the ratio of the integral lengthscale to the flow width is constant, thus enabling the use of the integral flow width in place of the integral lengthscale for defining Cɛ. The importance of this result is twofold: firstly it further strengthens the scalings obtained in the works of Dairay et al. 2015 and Cafiero and Vassilicos 2017; secondly the flow width is immediately accessible by any mean flow measurement, whereas the estimation of the integral lengthscale often requires an additional hypothesis. ERC Advanced Grant 320560.