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Sample records for non-equilibrium hcp phase

  1. Role of interface in forming non-equilibrium hcp phase by ion mixing in an immiscible Au-Co system

    CERN Document Server

    Yan, H F; Liu, B X

    2003-01-01

    In an equilibrium immiscible Au-Co system characterized by a positive heat of formation of +11 kJ mol sup - sup 1 , a non-equilibrium Au-Co phase of hcp structure was formed by 200 keV xenon ion mixing at 77 K in the Au sub 5 sub 0 Co sub 5 sub 0 multilayered films. Based on the free energy calculation, the excess interfacial free energy stored in the Au-Co multilayered films could provide adequate thermodynamic driving force for alloying between Au and Co and forming the non-equilibrium Au-Co hcp phase. Besides, the average magnetic moment per Co atom in the newly formed hcp structure was reduced by 22% of its equilibrium value, within a measuring error of 8%.

  2. 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.

  3. Non-equilibrium phase transitions in complex plasma

    NARCIS (Netherlands)

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

    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 separatio

  4. Observables of non-equilibrium phase transition

    CERN Document Server

    Tomasik, Boris; Melo, Ivan; Kopecna, Renata

    2015-01-01

    Rapidly expanding fireball which undergoes first-order phase transition will supercool and proceed via spinodal decomposition. Hadrons are produced from the individual fragments as well as leftover matter filling the space between them. Emission from fragments should be visible in rapidity correlations, particularly of protons. Also, even within narrow centrality classes, rapidity distributions will be fluctuating from one event to another in case of fragmentation. This can be identified with the help of Kolmogorov-Smirnov test. Finally, a method is presented which allows to sort events with varying rapidity distributions in such a way, that events with similar rapidity histograms are grouped together.

  5. Observables of non-equilibrium phase transition

    Energy Technology Data Exchange (ETDEWEB)

    Tomasik, Boris [Univerzita Mateja Bela, FPV, Banska Bystrica (Slovakia); Ceske vysoke uceni technicke v Praze, FJFI, Prague (Czech Republic); Schulc, Martin; Kopecna, Renata [Ceske vysoke uceni technicke v Praze, FJFI, Prague (Czech Republic); Melo, Ivan [Univerzita Mateja Bela, FPV, Banska Bystrica (Slovakia); Zilinska univerzita, Elektrotechnicka fakulta, Zilina (Slovakia)

    2016-08-15

    A rapidly expanding fireball which undergoes first-order phase transition will supercool and proceed via spinodal decomposition. Hadrons are produced from the individual fragments as well as the left-over matter filling the space between them. Emission from fragments should be visible in rapidity correlations, particularly of protons. In addition to that, even within narrow centrality classes, rapidity distributions will be fluctuating from one event to another in case of fragmentation. This can be identified with the help of the Kolmogorov-Smirnov test. Finally, we present a method which allows to sort events with varying rapidity distributions, in such a way that events with similar rapidity histograms are grouped together. (orig.)

  6. Dynamical symmetries and causality in non-equilibrium phase transitions

    CERN Document Server

    Henkel, Malte

    2015-01-01

    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.

  7. 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.

  8. Non-equilibrium phase transitions in a liquid crystal

    Science.gov (United States)

    Dan, K.; Roy, M.; Datta, A.

    2015-09-01

    The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min-1, consistent with a glass transition, a clear peak for β ≤ 5 K min-1 and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the

  9. Non-equilibrium phase transitions in a liquid crystal.

    Science.gov (United States)

    Dan, K; Roy, M; Datta, A

    2015-09-07

    The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min(-1), consistent with a glass transition, a clear peak for β ≤ 5 K min(-1) and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the

  10. Numerical modeling of two-phase high speed jet with non-equilibrium solid phase crystallization

    Science.gov (United States)

    Molchanov, A. M.; Yanyshev, D. S.; Bykov, L. V.

    2016-11-01

    The main purpose of the paper is to demonstrate that the Euler approach is fully applicable to the multiphase flows with discrete phase undergoing phase transitions. It is carried out using the example of a jet flow with aluminium oxide particles non-equilibrium crystallization. The jet is strongly underexpanded. The non-equilibrium molecular effects are being taken into account. The obtained results of the simulations are in good agreement with the works of the other authors. The developed Euler approach proved itself to be the most robust in flows with complex flow geometry.

  11. Non-equilibrium dynamical phases of the two-atom Dicke model

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacherjee, Aranya B.

    2014-09-12

    In this paper, we investigate the non-equilibrium dynamical phases of the two-atom Dicke model, which can be realized in a two species Bose–Einstein condensate interacting with a single light mode in an optical cavity. Apart from the usual non-equilibrium normal and inverted phases, a non-equilibrium mixed phase is possible which is a combination of normal and inverted phase. A new kind of dynamical phase transition is predicted from non-superradiant mixed phase to the superradiant phase which can be achieved by tuning the two different atom–photon couplings. We also show that a dynamical phase transition from the non-superradiant mixed phase to the superradiant phase is forbidden for certain values of the two atom–photon coupling strengths. - Highlights: • We investigate the non-equilibrium dynamical phases of the two-atom Dicke model. • The dynamical phase diagram reveals a new kind of non-equilibrium mixed phase. • A new kind of dynamical phase transition is predicted from mixed phase to the superradiant phase. • In the dynamical phase diagram of the mixed phase, there are regions where the superradiant phase cannot exist.

  12. The non-equilibrium phase diagrams of flow-induced crystallization and melting of polyethylene.

    Science.gov (United States)

    Wang, Zhen; Ju, Jianzhu; Yang, Junsheng; Ma, Zhe; Liu, Dong; Cui, Kunpeng; Yang, Haoran; Chang, Jiarui; Huang, Ningdong; Li, Liangbin

    2016-09-09

    Combining extensional rheology with in-situ synchrotron ultrafast x-ray scattering, we studied flow-induced phase behaviors of polyethylene (PE) in a wide temperature range up to 240 °C. Non-equilibrium phase diagrams of crystallization and melting under flow conditions are constructed in stress-temperature space, composing of melt, non-crystalline δ, hexagonal and orthorhombic phases. The non-crystalline δ phase is demonstrated to be either a metastable transient pre-order for crystallization or a thermodynamically stable phase. Based on the non-equilibrium phase diagrams, nearly all observations in flow-induced crystallization (FIC) of PE can be well understood. The interplay of thermodynamic stabilities and kinetic competitions of the four phases creates rich kinetic pathways for FIC and diverse final structures. The non-equilibrium flow phase diagrams provide a detailed roadmap for precisely processing of PE with designed structures and properties.

  13. Non-equilibrium quantum phase transition via entanglement decoherence dynamics

    Science.gov (United States)

    Lin, Yu-Chen; Yang, Pei-Yun; Zhang, Wei-Min

    2016-01-01

    We investigate the decoherence dynamics of continuous variable entanglement as the system-environment coupling strength varies from the weak-coupling to the strong-coupling regimes. Due to the existence of localized modes in the strong-coupling regime, the system cannot approach equilibrium with its environment, which induces a nonequilibrium quantum phase transition. We analytically solve the entanglement decoherence dynamics for an arbitrary spectral density. The nonequilibrium quantum phase transition is demonstrated as the system-environment coupling strength varies for all the Ohmic-type spectral densities. The 3-D entanglement quantum phase diagram is obtained. PMID:27713556

  14. Quantitative analysis of non-equilibrium phase transition process by the catastrophe theory

    Science.gov (United States)

    Liang, Xiao; Wu, Jiu Hui; Zhong, H. B.

    2017-08-01

    Catastrophe theory is a highly generalized mathematical theory that summarizes the rules of non-equilibrium phase transition by several catastrophe models. This paper investigates the general non-equilibrium phase transition process quantitatively using catastrophe theory for the first time, to our knowledge. First, a new approach is proposed by combining the catastrophe theory with dimensionless analysis. Second, the new approach is applied to two classic examples: one is the turbulent phase transition and the other is the bottleneck effect of particle flow. For the turbulence phase transition process, the quantitative relationships are obtained. Comparing with Kolmogorov's turbulent theory, the new method proposed in this paper is able to evaluate not only the complete turbulence condition but also the development of turbulence, and Kolmogorov's turbulent theory is only a special case of our results by this new approach. For the particle flow bottleneck effect, the results obtained by this new method correspond with the empirical formulated results. Therefore, the proposed method can solve non-equilibrium phase transition process problems and has the potential to extend to fluid, aerodynamics, and so forth.

  15. Non-equilibrium model of two-phase porous media flow with phase change

    Science.gov (United States)

    Cueto-Felgueroso, L.; Fu, X.; Juanes, R.

    2014-12-01

    The efficient simulation of multi-phase multi-component flow through geologic porous media is challenging and computationally intensive, yet quantitative modeling of these processes is essential in engineering and the geosciences. Multiphase flow with phase change and complex phase behavior arises in numerous applications, including enhanced oil recovery, steam injection in groundwater remediation, geologic CO2 storage and enhanced geothermal energy systems. A challenge of multiphase compositional simulation is that the number of existing phases varies with position and time, and thus the number of state variables in the saturation-based conservation laws is a function of space and time. The tasks of phase-state identification and determination of the composition of the different phases are performed assuming local thermodynamic equilibrium. Here we investigate a thermodynamically consistent formulation for non-isothermal two-phase flow, in systems where the hypothesis of instantaneous local equilibrium does not hold. Non-equilibrium effects are important in coarse-scale simulations where the assumption of complete mixing in each gridblock is not realistic. We apply our model to steam injection in water-saturated porous media.

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

    Science.gov (United States)

    Yeh, Leehwa

    1993-01-01

    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.

  17. Phase-field investigation on the non-equilibrium interface dynamics of rapid alloy solidification

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jeong [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    The research program reported here is focused on critical issues that represent conspicuous gaps in current understanding of rapid solidification, limiting our ability to predict and control microstructural evolution (i.e. morphological dynamics and microsegregation) at high undercooling, where conditions depart significantly from local equilibrium. More specifically, through careful application of phase-field modeling, using appropriate thin-interface and anti-trapping corrections and addressing important details such as transient effects and a velocity-dependent (i.e. adaptive) numerics, the current analysis provides a reasonable simulation-based picture of non-equilibrium solute partitioning and the corresponding oscillatory dynamics associated with single-phase rapid solidification and show that this method is a suitable means for a self-consistent simulation of transient behavior and operating point selection under rapid growth conditions. Moving beyond the limitations of conventional theoretical/analytical treatments of non-equilibrium solute partitioning, these results serve to substantiate recent experimental findings and analytical treatments for single-phase rapid solidification. The departure from the equilibrium solid concentration at the solid-liquid interface was often observed during rapid solidification, and the energetic associated non-equilibrium solute partitioning has been treated in detail, providing possible ranges of interface concentrations for a given growth condition. Use of these treatments for analytical description of specific single-phase dendritic and cellular operating point selection, however, requires a model for solute partitioning under a given set of growth conditions. Therefore, analytical solute trapping models which describe the chemical partitioning as a function of steady state interface velocities have been developed and widely utilized in most of the theoretical investigations of rapid solidification. However, these

  18. Computational studies of thermal and quantum phase transitions approached through non-equilibrium quenching

    Science.gov (United States)

    Liu, Cheng-Wei

    Phase transitions and their associated critical phenomena are of fundamental importance and play a crucial role in the development of statistical physics for both classical and quantum systems. Phase transitions embody diverse aspects of physics and also have numerous applications outside physics, e.g., in chemistry, biology, and combinatorial optimization problems in computer science. Many problems can be reduced to a system consisting of a large number of interacting agents, which under some circumstances (e.g., changes of external parameters) exhibit collective behavior; this type of scenario also underlies phase transitions. The theoretical understanding of equilibrium phase transitions was put on a solid footing with the establishment of the renormalization group. In contrast, non-equilibrium phase transition are relatively less understood and currently a very active research topic. One important milestone here is the Kibble-Zurek (KZ) mechanism, which provides a useful framework for describing a system with a transition point approached through a non-equilibrium quench process. I developed two efficient Monte Carlo techniques for studying phase transitions, one is for classical phase transition and the other is for quantum phase transitions, both are under the framework of KZ scaling. For classical phase transition, I develop a non-equilibrium quench (NEQ) simulation that can completely avoid the critical slowing down problem. For quantum phase transitions, I develop a new algorithm, named quasi-adiabatic quantum Monte Carlo (QAQMC) algorithm for studying quantum quenches. I demonstrate the utility of QAQMC quantum Ising model and obtain high-precision results at the transition point, in particular showing generalized dynamic scaling in the quantum system. To further extend the methods, I study more complex systems such as spin-glasses and random graphs. The techniques allow us to investigate the problems efficiently. From the classical perspective, using the

  19. Unusual dileptions at RHIC a field theoretic approach based on a non-equilibrium chiral phase transition

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, F. [Los Alamos National Labs., NM (United States)

    1997-09-22

    This paper contains viewgraphs on unusual dileptons at Brookhaven RHIC. A field theory approach is used based on a non-equilibrium chiral phase transformation utilizing the schroedinger and Heisenberg picture.

  20. Phase-field investigation on the non-equilibrium interface dynamics of rapid alloy solidification

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jeong [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    The research program reported here is focused on critical issues that represent conspicuous gaps in current understanding of rapid solidification, limiting our ability to predict and control microstructural evolution (i.e. morphological dynamics and microsegregation) at high undercooling, where conditions depart significantly from local equilibrium. More specifically, through careful application of phase-field modeling, using appropriate thin-interface and anti-trapping corrections and addressing important details such as transient effects and a velocity-dependent (i.e. adaptive) numerics, the current analysis provides a reasonable simulation-based picture of non-equilibrium solute partitioning and the corresponding oscillatory dynamics associated with single-phase rapid solidification and show that this method is a suitable means for a self-consistent simulation of transient behavior and operating point selection under rapid growth conditions. Moving beyond the limitations of conventional theoretical/analytical treatments of non-equilibrium solute partitioning, these results serve to substantiate recent experimental findings and analytical treatments for single-phase rapid solidification. The departure from the equilibrium solid concentration at the solid-liquid interface was often observed during rapid solidification, and the energetic associated non-equilibrium solute partitioning has been treated in detail, providing possible ranges of interface concentrations for a given growth condition. Use of these treatments for analytical description of specific single-phase dendritic and cellular operating point selection, however, requires a model for solute partitioning under a given set of growth conditions. Therefore, analytical solute trapping models which describe the chemical partitioning as a function of steady state interface velocities have been developed and widely utilized in most of the theoretical investigations of rapid solidification. However, these

  1. Entropy analysis on non-equilibrium two-phase flow models

    Energy Technology Data Exchange (ETDEWEB)

    Karwat, H.; Ruan, Y.Q. [Technische Universitaet Muenchen, Garching (Germany)

    1995-09-01

    A method of entropy analysis according to the second law of thermodynamics is proposed for the assessment of a class of practical non-equilibrium two-phase flow models. Entropy conditions are derived directly from a local instantaneous formulation for an arbitrary control volume of a structural two-phase fluid, which are finally expressed in terms of the averaged thermodynamic independent variables and their time derivatives as well as the boundary conditions for the volume. On the basis of a widely used thermal-hydraulic system code it is demonstrated with practical examples that entropy production rates in control volumes can be numerically quantified by using the data from the output data files. Entropy analysis using the proposed method is useful in identifying some potential problems in two-phase flow models and predictions as well as in studying the effects of some free parameters in closure relationships.

  2. The voltage limitation for phase coherence experiments: non-equilibrium effects versus Joule heating

    Science.gov (United States)

    Linke, H.; Omling, P.; Xu, Hongqi; Lindelof, P. E.

    1996-12-01

    The breaking of phase coherence of electrons by a finite bias voltage is studied in a quasi-one-dimensional electron gas. Although the wire is longer than the energy relaxation length we find that Joule heating in the wire is not important for dephasing of non-equilibrium electrons. Instead, phase breaking occurs by electron-electron interaction due to the excess energy of the injected electrons with respect to the Fermi energy. The relevant limiting parameter for phase coherence is, therefore, the bias voltage, rather than the dissipated power. A model calculation suggests that our results are of general relevance for coherence experiments in one-dimensional geometry on length scales of the same order of magnitude as the energy relaxation length.

  3. Non-equilibrium phase-transitions in multi-component Rydberg gases

    CERN Document Server

    Ding, D S; Shi, B S; Guo, G C

    2016-01-01

    Highly-excited Rydberg atoms have strong long-range interactions resulting in exotic optical prop erties such as large single photon non-linearities and intrinsic bistability. In this paper we study optical-driven non-equilibrium phase transitions in a thermal Rydberg gas with a sensitivity two order of magnitude higher than in previous work. In this regime we can elucidate the effect of inter actions on the bistable optical response, and exploit different branches in the potential in order to study multi-component Rydberg gases with a rich of phase diagram including overlapping bistable regions. In addition, we study the effect of polarization on the width of the hysteresis loop. Finally, we observe that the medium exhibits a dynamical instability resulting from the competing dynamics of excitation and decay.

  4. Non-equilibrium phase transition properties of disordered binary ferromagnetic alloy

    Science.gov (United States)

    Vatansever, Erol; Akinci, Umit; Polat, Hamza

    2015-09-01

    Non-equilibrium dynamic phase transition features of a disordered binary ferromagnetic alloy consisting of spin- 1 / 2 and spin-1 components under the presence of a time dependent oscillating magnetic field have been analyzed for a two dimensional square lattice. With the help of Glauber-type stochastic process, the kinetic equations of time dependent magnetizations have been derived based on the effective-field theory with single-site correlations. A systematic analysis for the whole range of the concentrations of randomly distributed components as well as other system parameters has been carried out. According to our numerical investigations, the considered system presents unusual thermal and magnetic field behaviors such as the existence of dynamic multi-critical behavior and also boundaries of the coexistence region, where both dynamically ordered and disordered phases overlap, sensitively depends on the studied parameter space.

  5. Cortical phase transitions, non-equilibrium thermodynamics and the time-dependent Ginzburg-Landau equation

    CERN Document Server

    Freeman, W J; Obinata, M; Vitiello, G

    2011-01-01

    The formation of amplitude modulated and phase modulated assemblies of neurons is observed in the brain functional activity. The study of the formation of such structures requires that the analysis has to be organized in hierarchical levels, microscopic, mesoscopic, macroscopic, each with its characteristic space-time scales and the various forms of energy, electric, chemical, thermal produced and used by the brain. In this paper, we discuss the microscopic dynamics underlying the mesoscopic and the macroscopic levels and focus our attention on the thermodynamics of the non-equilibrium phase transitions. We obtain the time-dependent Ginzburg-Landau equation for the non-stationary regime and consider the formation of topologically non-trivial structures such as the vortex solution. The power laws observed in functional activities of the brain is also discussed and related to coherent states characterizing the many-body dissipative model of brain.

  6. Modeling multiphase, multicomponent flows at the pore scale: Wetting phenomena and non-equilibrium phase behavior

    Science.gov (United States)

    Cueto-Felgueroso, L.; Fu, X.; Juanes, R.

    2016-12-01

    The description of multicomponent flows with complex phase behavior remains an open challenge in pore-scale modeling. Darcy-scale general purpose simulators assume local thermodynamic equilibrium, and perform equation-of-state-based calculations to make phase equilibrium predictions; that is, to determine the phase volume fractions and their compositions from overall component mole fractions. What remains unclear is whether the thermodynamic equilibrium assumption is valid given the flow conditions, complex structure of the pore space and characteristic time scales for flow. Diffuse-interface theories of multiphase flow have recently emerged as promising tools to understand and simulate complex processes involving the simultaneous flow of two or more immiscible fluid phases. The common goal in these approaches is to formulate thermodynamically consistent stress tensors and mesoscale balance laws, including the impact of surface tension on the momentum balance, as well as properly tracking interfacial dynamics and mass transfer. We propose a phase-field model of multiphase, multicomponent flow, which we use to address the following research questions: What is the impact of the wetting conditions at the pore scale on upscaled descriptions of multiphase flow? What is the impact of the displacement dynamics, pore space structure and wetting conditions on the phase behavior of multicomponent mixtures? We finally investigate upscaling procedures to incorporate non-equilibrium phase behavior at the continuum scale.

  7. Anomalous long-range correlations at a non-equilibrium phase transition

    Science.gov (United States)

    Gerschenfeld, A.; Derrida, B.

    2012-02-01

    Non-equilibrium diffusive systems are known to exhibit long-range correlations, which decay like the inverse 1/L of the system size L in one dimension. Here, taking the example of the ABC model, we show that this size dependence becomes anomalous (the decay becomes a non-integer power of L) when the diffusive system approaches a second-order phase transition. This power-law decay as well as the L-dependence of the time-time correlations can be understood in terms of the dynamics of the amplitude of the first Fourier mode of the particle densities. This amplitude evolves according to a Langevin equation in a quartic potential, which was introduced in a previous work to explain the anomalous behavior of the cumulants of the current near this second-order phase transition. Here we also compute some of these cumulants away from the transition and show that they become singular as the transition is approached, matching with what we already knew in the critical regime.

  8. Entropic screening preserves non-equilibrium nature of nematic phase while enthalpic screening destroys it

    Energy Technology Data Exchange (ETDEWEB)

    Dan, K.; Roy, M.; Datta, A. [Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Saltlake, Kolkata 700064, West Bengal (India)

    2016-02-14

    The present manuscript describes the role of entropic and enthalpic forces mediated by organic non-polar (hexane) and polar (methanol) solvents on the bulk and microscopic phase transition of a well known nematic liquid crystalline material MBBA (N-(4-methoxybenzylidene)-4-butylaniline) through Differential Scanning calorimetry (DSC), UV-Visible (UV–Vis), and Fourier Transform Infrared (FTIR) spectroscopy. DSC study indicates continuous linear decreases in both nematic-isotropic (N-I) phase transition temperature and enthalpy of MBBA in presence of hexane while both these parameters show a saturation after an initial decay in methanol. These distinct transitional behaviours were explained in terms of the “depletion force” model for entropic screening in hexane and “screening-self-screening” model for methanol. Heating rate dependent DSC studies find that non-Arrhenius behaviour, characteristic of pristine MBBA and a manifestation of non-equilibrium nature [Dan et al., J. Chem. Phys. 143, 094501 (2015)], is preserved in presence of entropic screening in the hexane solution, while it changes to Arrhenius behaviour (signifying equilibrium behaviour) in presence of enthalpic screening in methanol solution. FTIR spectra show similar dependence on the solvent induced screening in the intensities of the imine (—C = N) stretch and the out-of-plane distortion vibrations of the benzene rings of MBBA with hexane and methanol as in DSC, further establishing our entropic and enthalpic screening models. UV–Vis spectra of the electronic transitions in MBBA as a function of temperature also exhibit different dependences of intensities on the solvent induced screening, and an exponential decrease is observed in presence of hexane while methanol completely changes the nature of interaction to follow a linear dependence.

  9. Angular distortive matrices of phase transitions in the fcc-bcc-hcp system

    OpenAIRE

    Cayron, Cyril

    2016-01-01

    This work generalizes the one-step model previously developed on fcc-bcc martensitic transformations to the larger family of phase transitions in the fcc-bcc-hcp system. The angular distortive matrices are calculated for the bcc-fcc, bcc-hcp and fcc-hcp transitions, and for fcc-fcc mechanical twinning. The analytical expressions of the continuous atomic displacements, lattice distortion and lattice correspondence matrices result directly from the orientation relationships; the unique assumpti...

  10. Mathematical modeling of gas-condensate mixture filtration in porous media taking into account non-equilibrium of phase transitions

    Science.gov (United States)

    Kachalov, V. V.; Molchanov, D. A.; Sokotushchenko, V. N.; Zaichenko, V. M.

    2016-11-01

    At the present time, a considerable part of the largest dry gas reservoirs in Russia are found in the stage of declining production, therefore active exploitation of gas-condensate fields will begin in the coming decades. There is a significant discrepancy between the project and the actual value of condensate recovery factor while producing reservoir of this type, which is caused by insufficient knowledge about non-equilibrium filtration mechanisms of gas-condensate mixtures in reservoir conditions. A system of differential equations to describe filtration process of two-phase multicomponent mixture for one-, two- and three-dimensional cases is presented in this work. The solution of the described system was made by finite-element method in the software package FlexPDE. Comparative distributions of velocities, pressures, saturations and phase compositions of three-component mixture along the reservoir model and in time in both cases of equilibrium and non-equilibrium filtration processes were obtained. Calculation results have shown that system deviation from the thermodynamic equilibrium increases gas phase flow rate and reduces liquid phase flow rate during filtration process of gas-condensate mixture.

  11. 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.

  12. Calculations of the phase interface constitution during the non-equilibrium growth of binary eutectics

    Energy Technology Data Exchange (ETDEWEB)

    Chvoj, Z. (Inst. of Physics, Academy of Science, Prague (Czechoslovakia))

    1993-01-01

    It is well-known that eutectics do not necessarily grow at the eutectic temperature, or with the eutectic composition. Thus, the eutectic point can be shifted due to nonequilibrium conditions in the system. This fact was observed in many experiments. We try to explain this behaviour on the basis of the study of phase transformation kinetics. We construct the kinetic phase diagrams within the framework of the nucleation theory as well as of the theory of growth on the phase interface. Our models are based on the molecular model of the difference in chemical potential of components for the liquid and solid phases. The proposed model describes the position of the eutectic point very well. (orig.).

  13. Non-equilibrium phase stabilization versus bubble nucleation at a nanoscale-curved interface

    CERN Document Server

    Schiffbauer, Jarrod

    2016-01-01

    Using continuum dynamic van der Waals theory in a radial 1D geometry with a Lennard-Jones fluid model, we investigate the nature of vapor bubble nucleation near a heated, nanoscale-curved convex interface. Vapor bubble nucleation and growth are observed for interfaces with sufficiently large radius of curvature while phase stabilization of a superheated fluid layer occurs at interfaces with smaller radius. The hypothesis that the high Laplace pressure required for stable equilibrium of very small bubbles is responsible for phase stability is tested by effectively varying the parameter which controls liquid-vapor surface tension. In doing so, the liquid-vapor surface tension--hence Laplace pressure--is shown to have limited effect on phase stabilization vs. bubble nucleation. However, the strong dependence of nucleation on leading-order momentum transport, i.e. viscous dissipation, near the heated inner surface is demonstrated.

  14. Long Range Correlations and Phase Transitions in Non-equilibrium Diffusive Systems

    Science.gov (United States)

    Bodineau, T.; Derrida, B.; Lecomte, V.; van Wijland, F.

    2008-12-01

    We obtain explicit expressions for the long range correlations in the ABC model and in diffusive models conditioned to produce an atypical current of particles. In both cases, the two-point correlation functions allow one to detect the occurrence of a phase transition as they become singular when the system approaches the transition.

  15. Simulation of non-equilibrium two-phase flow in single component fluid systems

    Energy Technology Data Exchange (ETDEWEB)

    Hoyer, Norbert [Scandpower A/S, Kjeller (Norway)

    1996-12-31

    Traditionally, two-phase flow has been modelled by separate correlations for void fraction, pressure drop and flow regimes. A more unified approach, which treats flow regimes as an integral part of the two-fluid model is described in this work. A general, transient simulator for steam-water/inert gas systems has been developed. MONA is based on a full two-fluid, three field, nonequilibrium, nonhomogeneous two-phase flow model. It includes further an extensive heat and mass transfer package. The major contribution for MONA validation comes from the FRIGG loop experiments, covering a wide range of parameters like geometry, flow, subcooling, pressure and heat flux. Both validation against steady state and dynamic experiments has been carried out, the former comprising void fractions, pressure drops as well as natural and forced circulation flow rates while the latter consists of boiling instability analysis. 69 refs., 41 figs., 5 tabs.

  16. Non-equilibrium deposition of phase pure Cu2O thin films at reduced growth temperature

    Directory of Open Access Journals (Sweden)

    Archana Subramaniyan

    2014-02-01

    Full Text Available Cuprous oxide (Cu2O is actively studied as a prototypical material for energy conversion and electronic applications. Here we reduce the growth temperature of phase pure Cu2O thin films to 300 °C by intentionally controlling solely the kinetic parameter (total chamber pressure, Ptot at fixed thermodynamic condition (0.25 mTorr pO2. A strong non-monotonic effect of Ptot on Cu-O phase formation is found using high-throughput combinatorial-pulsed laser deposition. This discovery creates new opportunities for the growth of Cu2O devices with low thermal budget and illustrates the importance of kinetic effects for the synthesis of metastable materials with useful properties.

  17. Study of phase transitions from short-time non-equilibrium behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Albano, E V; Bab, M A; Baglietto, G; Borzi, R A; Grigera, T S; Loscar, E S; Rodriguez, D E; Rubio Puzzo, M L; Saracco, G P [Instituto de Investigaciones FisicoquImicas Teoricas y Aplicadas (INIFTA), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, c.c. 16, suc. 4, 1900 La Plata (Argentina)

    2011-02-15

    We review recent progress in the understanding of phase transitions and critical phenomena, obtained by means of numerical simulations of the early dynamic evolution of systems prepared at well-specified initial conditions. This field has seen exhaustive scientific research during the last decade, when the renormalization-group (RG) theoretical results obtained at the end of the 1980s were applied to the interpretation of dynamic Monte Carlo simulation results. While the original RG theory is restricted to critical phenomena under equilibrium conditions, numerical simulations have been applied to the study of far-from-equilibrium systems and irreversible phase transitions, the investigation of the behaviour of spinodal points close to first-order phase transitions and the understanding of the early-time evolution of self-organized criticality (SOC) systems when released far form the SOC regime. The present review intends to provide a comprehensive overview of recent applications in those fields, which can give the flavour of the main ideas, methods and results, and to discuss the directions for further studies. All of these numerical results pose new and interesting theoretical challenges that remain as open questions to be addressed by new research in the coming years.

  18. Oxidation Control and Non-equilibrium Phase Formation in Cu-Cr Alloys during Mechanical Alloying

    Institute of Scientific and Technical Information of China (English)

    Xiaolong CUI; Lai WANG; Min QI

    2001-01-01

    Using X-ray diffraction (XRD), scanning electron microscopy (SEM), differential scanning calorimeter (DSC) and optical microscopy, phase transformation of Cu-Cr alloys with various compositions during mechanical alloying process has been investigated. Besides the formation of supersaturated solid solution, the results show that a kind of amorphous oxide formed in the process,and the addition of carbon has obviously effect on the suppression of oxidation and the deoxidization of oxide. The reactive milling has a remarkable effect on the behavior of oxidation.

  19. Phase evolution and infrared transmittance in monophasic VO{sub 2} synthesized by a rapid non-equilibrium process

    Energy Technology Data Exchange (ETDEWEB)

    Rajeswaran, Bharathi, E-mail: rajeswaran.bharathi@gmail.com; Umarji, A.M.

    2017-04-01

    VO{sub 2} displays a semiconducting to metallic (SMT) transition accessible near room temperature. This makes it one of the most sought after materials for electrical and optical switching. But this can be utilized only when the synthesis process yields phase pure VO{sub 2} without other oxides of vanadium. Across the SMT, VO{sub 2} exhibits difference crystal structures with a rich phase behavior of insulating monoclinic M1, M2 and T phases. The objective of this study is to synthesize phase pure VO{sub 2} and to investigate its structural evolution and infrared switching during the transition. In this work, a rapid non-equilibrium process namely Solution Combustion Synthesis (SCS) was employed. The structural phase transition (SPT) of VO{sub 2} nanostructures synthesized by SCS was investigated by in-situ temperature controlled XRD across the SMT. Gaussian curve fittings for measured XRD patterns revealed that competing phases of M1 and R significantly contribute to the observed pattern at every increase in temperature. The powders were further characterized by FTIR, DSC and DC electrical conductivity. These studies show that a sharp SMT was observed at 68–70 °C. Infrared transmittance experiments pinpointed the transition. Carrier density and mobility of VO{sub 2} were calculated. This suggests that this VO{sub 2} thus synthesized displays excellent phase transition behavior and can be utilized in optical and electrical switching. - Highlights: • VO{sub 2} has been synthesized by an easy, rapid, cost-effective, two-step, novel reaction. • High temperature XRD and DSC showed first order phase transition. • IR transmittance showed a decrease in transmittance at high temperatures enabling it to be used for IR sensing.

  20. Cosmological QCD phase transition in steady non-equilibrium dissipative Ho\\v{r}ava-Lifshitz early universe

    CERN Document Server

    Khodadi, M

    2014-01-01

    We study the phase transition from quark-gluon plasma to hadrons in the early universe in the context of non-equilibrium thermodynamics. According to the standard model of cosmology, a phase transition associated with chiral symmetry breaking after the electro-weak transition has occurred when the universe was about $1-10\\mu s$ old. We focus attention on such a phase transition in the presence of a viscous relativistic cosmological background fluid in the framework of non-detailed balance Ho\\v{r}ava-Lifshitz cosmology within an effective model of QCD. We consider a flat Friedmann-Robertson-Walker Universe filled with a non-causal and causal bulk viscous cosmological fluid respectively and investigate the effects of the running coupling constants of Ho\\v{r}ava-Lifshitz gravity, $\\lambda$, on the evolution of the physical quantities relevant to a description of the early universe, namely, the temperature $T$, scale factor $a$, deceleration parameter $q$ and dimensionless ratio of the bulk viscosity coefficient ...

  1. Signature of a continuous quantum phase transition in non-equilibrium energy absorption: Footprints of criticality on higher excited states.

    Science.gov (United States)

    Bhattacharyya, Sirshendu; Dasgupta, Subinay; Das, Arnab

    2015-11-16

    Understanding phase transitions in quantum matters constitutes a significant part of present day condensed matter physics. Quantum phase transitions concern ground state properties of many-body systems, and hence their signatures are expected to be pronounced in low-energy states. Here we report signature of a quantum critical point manifested in strongly out-of-equilibrium states with finite energy density with respect to the ground state and extensive (subsystem) entanglement entropy, generated by an external pulse. These non-equilibrium states are evidently completely disordered (e.g., paramagnetic in case of a magnetic ordering transition). The pulse is applied by switching a coupling of the Hamiltonian from an initial value (λI) to a final value (λF) for sufficiently long time and back again. The signature appears as non-analyticities (kinks) in the energy absorbed by the system from the pulse as a function of λF at critical-points (i.e., at values of λF corresponding to static critical-points of the system). As one excites higher and higher eigenstates of the final Hamiltonian H(λF) by increasing the pulse height (|λF - λI|), the non-analyticity grows stronger monotonically with it. This implies adding contributions from higher eigenstates help magnifying the non-analyticity, indicating strong imprint of the critical-point on them. Our findings are grounded on exact analytical results derived for Ising and XY chains in transverse field.

  2. Non-equilibrium phase transition in a two-species driven-diffusive model of classical particles

    Science.gov (United States)

    Ghadermazi, Mohammad; Jafarpour, Farhad H.

    2016-09-01

    A two-species driven-diffusive model of classical particles is introduced on a lattice with periodic boundary condition. The model consists of a finite number of first class particles in the presence of a second class particle. While the first class particles can only hop forward, the second class particle is able to hop both forward and backward with specific rates. We have shown that the partition function of this model can be calculated exactly. The model undergoes a non-equilibrium phase transition when a condensation of the first class particles occurs behind the second class particle. The phase transition point and the spatial correlations between the first class particles are calculated exactly. On the other hand, we have shown that this model can be mapped onto a two-dimensional walk model. The random walker can only move on the first quarter of a two-dimensional plane and that it takes the paths which can start at any height and end at any height upper than the height of the starting point. The initial vertex (starting point) and the final vertex (end point) of each lattice path are weighted. The weight of the outset point depends on the height of that point while the weight of the end point depends on the height of both the outset point and the end point of each path. The partition function of this walk model is calculated using a transfer matrix method.

  3. On the possibility to develop an advanced non-equilibrium model of depressurisation in two-phase fluids

    Science.gov (United States)

    Duc, Linh Do; Horák, Vladimír; Kulish, Vladimir; Lukáč, Tomáš

    2017-01-01

    Carbon dioxide is widely used as the power gas in the gas guns community due to its ease of handling, storability at room temperature, and high vapor pressure depending only upon temperature, but not a tank size, as long as some liquid carbon dioxide remains in the tank. This high vapor pressure can be used as the pressurant, making it what is referred to as a self-pressurising propellant. However, as a two-phase substance, carbon dioxide does have its drawbacks: (1) vaporization of liquefied CO2 inside a tank when shooting rapidly or a lot causes the tank to get cool, resulting in pressure fluctuations that makes the gun's performance and accuracy worse, (2) solid carbon dioxide that is also known as dry ice can appear on the output valve of the tank while shooting and it can cause damage or slow the gun's performance down, if it works its way into some control components, including the barrel of the gun. Hence, it is crucial to obtain a scientific understanding of carbon dioxide behavior and further the discharge characteristics of a wide range of pressure-tank configurations. For the purpose of satisfying this goal, a comprehensive discharge mathematical model for carbon dioxide tank dynamics is required. In this paper, the possibility to develop an advanced non-equilibrium model of depressurization in two-phase fluids is discussed.

  4. Scaling behavior of non-equilibrium phase transitions in spontaneously ordered motion of self-propelled particles

    Science.gov (United States)

    Bakir, R.; Tarras, I.; Hader, A.; Sbiaai, H.; Mazroui, M.; Boughaleb, Y.

    2016-09-01

    Many animal groups, such as bird flocks, clearly present structural order and appear to move as a single coherent entity. In interest to understand the complex behavior of these systems, many models have been proposed and tested so far. The aim of this work is to study and discuss numerically the scaling behavior in the 2D non-equilibrium phase transitions in spontaneously ordered motion of self-propelled particles in the framework of Vicsek model. This model is an important tool to study the behavior of collective motion of live biological and physical organisms. The calculation of the scaling exponents is effected by using the scaling dynamic method. However, the time evolution of the particles velocity present two different regimes separated by a cross-over time which increases linearly with both applied noise and radius of repulsive zone, but it decreases exponentially with the radius of orientation zone. The results show that the obtained exponents are similar to the growth and roughness ones used in the interfaces growth and to the submonolayer deposition process. The obtained values of these exponents are not dependent on the noises value, which proves their universality characters. Hence the kinetic evolution of the spontaneously ordered motion of self-propelled particles is self-similar. Implications of these findings are discussed.

  5. On the relative stability of orthorhombic and hcp phases of beryllium at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Palanivel, B.; Rao, R.S.; Godwal, B.K.; Sikka, S.K. [High Pressure Physics Division, Bhabha Atomic Research Center, Mumbai (India)

    2000-10-16

    High-pressure electronic properties of Be have been investigated theoretically by means of ab initio electronic structure calculations. The calculations have been carried out by the semi-relativistic full-potential, linear muffin-tin orbital (FPLMTO) method, within the local density approximation. The crystal structure stability among the hcp, bcc and orthorhombic (distorted hcp) phases has been studied as a function of compression. The bcc structure is found to be energetically stable at pressures above 180 GPa. From the results of our calculations, the orthorhombic phase cannot occur as an intermediate phase between the ambient pressure hcp phase and the high-pressure bcc structure. Our work thus suggests the need for more accurate high-pressure x-ray data. (author)

  6. Exact solution of Markovian master equations for quadratic Fermi systems: thermal baths, open XY spin chains and non-equilibrium phase transition

    Energy Technology Data Exchange (ETDEWEB)

    Prosen, Tomaz; Zunkovic, Bojan [Department of Physics, FMF, University of Ljubljana, Jadranska 19, SI-1000 Ljubljana (Slovenia)], E-mail: tomaz.prosen@fmf.uni-lj.si

    2010-02-15

    We generalize the method of third quantization to a unified exact treatment of Redfield and Lindblad master equations for open quadratic systems of n fermions in terms of diagonalization of a 4nx4n matrix. Non-equilibrium thermal driving in terms of the Redfield equation is analyzed in detail. We explain how one can compute all the physically relevant quantities, such as non-equilibrium expectation values of local observables, various entropies or information measures, or time evolution and properties of relaxation. We also discuss how to exactly treat explicitly time-dependent problems. The general formalism is then applied to study a thermally driven open XY spin 1/2 chain. We find that the recently proposed non-equilibrium quantum phase transition in the open XY chain survives the thermal driving within the Redfield model. In particular, the phase of long-range magnetic correlations can be characterized by hypersensitivity of the non-equilibrium steady state to external (bath or bulk) parameters. Studying the heat transport, we find negative differential thermal conductance for sufficiently strong thermal driving as well as non-monotonic dependence of the heat current on the strength of the bath coupling.

  7. Effect of Crystal Quality on HCP-BCC Phase Transition in Solid 4He

    CERN Document Server

    Mikhin, N; Rudavskii, E; Vekhov, Y; Mikhin, Nikolay; Polev, Andrey; Rudavskii, Eduard; Vekhov, Yegor

    2006-01-01

    The kinetics of HCP-BCC structure phase transition is studied by precise pressure measurement technique in 4He crystals of different quality. An anomalous pressure behavior in bad quality crystals under constant volume conditions is detected just after HCP-BCC structure phase transition. A sharp pressure drop of 0.2 bar was observed at constant temperature. The subsequent pressure kinetics is a non-monotonic temperature function. The effect observed can be explained if we suppose that microscopic liquid droplets appear on the HCP-BCC interphase region in bad quality crystals. After the interphase region disappearance, these droplets are crystallized with pressure reduction. It is shown that this effect is absent in high quality thermal-treated crystals.

  8. Pressure-induced fcc to hcp phase transition in Ni-based high entropy solid solution alloys

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, F. X.; Zhao, Shijun; Jin, Ke; Bei, H.; Popov, D.; Park, Changyong; Neuefeind, J. C.; Weber, W. J.; Zhang, Yanwen [Tennessee-K; (ORNL); (CIW)

    2017-01-04

    A pressure-induced phase transition from the fcc to a hexagonal close-packed (hcp) structure was found in NiCoCrFe solid solution alloy starting at 13.5 GPa. The phase transition is very sluggish and the transition did not complete at ~40 GPa. The hcp structure is quenchable to ambient pressure. Only a very small amount (<5%) of hcp phase was found in the isostructural NiCoCr ternary alloy up to the pressure of 45 GPa and no obvious hcp phase was found in NiCoCrFePd system till to 74 GPa. Ab initio Gibbs free energy calculations indicated the energy differences between the fcc and the hcp phases for the three alloys are very small, but they are sensitive to temperature. The critical transition pressure in NiCoCrFe varies from ~1 GPa at room temperature to ~6 GPa at 500 K.

  9. Nucleation of hcp and fcc phases in bcc iron under uniform compression: classical molecular dynamics simulations.

    Science.gov (United States)

    Wang, B T; Shao, J L; Zhang, G C; Li, W D; Zhang, P

    2010-11-03

    By classical molecular dynamics simulations employing an embedded atom method potential, we have simulated the bcc to hcp/fcc structural transition in single-crystal iron under uniform compression. Results showed that the transition pressure is different from uniaxial compression and shock loading. The transformation occurs on a picosecond timescale and the transition time decreases along with the increase of pressure. The nucleation and growth of the hcp and fcc phases under constant pressure and temperature are analyzed in detail. The nucleation planes, all belonging to the {110}(bcc) family and parallel to the three compression directions [100], [010], and [001], have been observed. About 20% bcc atoms have transformed to fcc phase under pressure just over the critical point, and under higher pressure the fraction of the fcc phase increases steadily to exceed that of the hcp phase. We have investigated the transition mechanism of iron from initial bcc to hcp/fcc and found that the transition mainly consists of compression, rotation, and shuffle.

  10. A metastable HCP intermetallic phase in Cu-Al bilayer films

    Energy Technology Data Exchange (ETDEWEB)

    Cha, Limei

    2006-07-01

    For the present study, three kinds of layered Cu/Al films have been fabricated. The first kind of samples were multilayered Cu/Al films deposited by sputtering on (001)Si. The individual layer thicknesses were 100 nm, 200 nm and 400 nm, while the total film thickness of 800 nm was kept constant, thus leading to multilayer systems with 8, 4 and 2 layers, respectively. The second type of samples were Cu/Al bilayer films grown on (0001) sapphire by sputtering, with individual layer thicknesses of 400 nm. The third type of samples were bilayer films (100 nm Cu and 100 nm Al) deposited on (0001)sapphire by MBE at room temperature. Applying conventional transmission electron microscopy and X-ray diffraction, different epitaxial growth behaviors were found in these films. All multilayer films from the first type were polycrystalline. The second type of films show a (111) FCC texture and possess intermetallic phases at the interfaces. HRTEM investigations displayed that along [111]FCC, the atomic structure of the interlayer has an ABAB stacking sequence, which is identical with a hexagonal close-packed (HCP) structure in [0001] direction, but not with the ABCABC stacking sequence of Cu and Al in [111]FCC. The lattice parameters of the HCP structure at the interlayer were determined from a model which gave the best agreement between the experimental and simulated images. The parameters are: a=b=0.256 nm, c=0.419 nm, ?=120 , with the space group of P6m2. Furthermore, lattice distortion analysis revealed that the lattice parameters of the HCP phase are increasing from the near-Cu-side to the near-Al-side. The chemical composition of the interlayer was investigated by energy dispersive X-ray spectroscopy (EDS). EDS linescans were performed from pure Al to pure Cu layers. In order to examine the stability of this HCP phase, in-situ heating experiments were performed in the HRTEM at {proportional_to}600 C. Ex-situ heating experiments were performed at different temperatures to

  11. 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

  12. A time-asymptotic one equation non-equilibrium model for reactive transport in a two phase porous medium

    Science.gov (United States)

    Yohan, D.; Gerald, D.; Magali, G.; Michel, Q.

    2008-12-01

    The general problem of transport and reaction in multiphase porous media has been a subject of extensive studies during the last decades. For example, biologically mediated porous media have seen a long history of research from the environmental engineering point of view. Biofilms (aggregate of microorganisms coated in a polymer matrix generated by bacteria) have been particularly examined within the context of bioremediation in the subsurface zone. Five types of models may be used to describe these kinds of physical system: 1) one-equation local mass equilibrium models when the assumption of local mass equilibrium is valid 2) two equations models when the assumption of local mass equilibrium is not valid 3) one equation non-equilibrium models 4) mixed models coupling equations solved at two different scales 5) one equation time-asymptotic models. In this presentation, we use the method of volume averaging with closure to extend the time- asymptotic model at the Darcy scale to the reactive case. Closure problems are solved for simple unit cells, and the macro-scale model is validated against pore-scale simulations.

  13. Non-equilibrium phase and entanglement entropy in 2D holographic superconductors via Gauge-String duality

    CERN Document Server

    Mazhari, N S; Myrzakulov, R; Gholizade, H; Raza, M

    2015-01-01

    An alternative method of developing the theory of non-equilibrium two dimensional holographic superconductor is to start from the definition of a time dependent $AdS_3$ background. As originally proposed, many of these formulae were cast in exponential form, but the adoption of the numeric method of expression throughout the bulk serves to show more clearly the relationship between the various parameters. The time dependence behaviour of the scalar condensation and Maxwell fields are fitted numerically. A usual value for Maxwell field on AdS horizon is $\\exp(-bt)$, and the exponential $\\log$ ratio is therefore $10^{-8} s^{-1}$. The coefficient $b$ of the time in the exponential term $\\exp(-bt)$ can be interpreted as a tool to measure the degree of dynamical instability, its reciprocal $\\frac{1}{b}$ is the time in which the disturbance is multiplied in the ratio. A discussion of some of the exponential formulae is given by the scalar field $\\psi(z,t)$ near the AdS boundary. It might be possible that a long int...

  14. 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.

  15. Reflection of processes of non-equilibrium two-phase filtration in oil-saturated hierarchical medium in data of active wave geophysical monitoring

    Science.gov (United States)

    Hachay, Olga; Khachay, Andrey; Khachay, Oleg

    2016-04-01

    The processes of oil extraction from deposit are linked with the movement of multi-phase multi-component media, which are characterized by non-equilibrium and non-linear rheological features. The real behavior of layered systems is defined by the complexity of the rheology of moving fluids and the morphology structure of the porous medium, and also by the great variety of interactions between the fluid and the porous medium [Hasanov and Bulgakova, 2003]. It is necessary to take into account these features in order to informatively describe the filtration processes due to the non-linearity, non-equilibrium and heterogeneity that are features of real systems. In this way, new synergetic events can be revealed (namely, a loss of stability when oscillations occur, and the formation of ordered structures). This allows us to suggest new methods for the control and management of complicated natural systems that are constructed on account of these phenomena. Thus the layered system, from which it is necessary to extract the oil, is a complicated dynamical hierarchical system. A comparison is provided of non-equilibrium effects of the influence of independent hydrodynamic and electromagnetic induction on an oil layer and the medium which it surrounds. It is known that by drainage and steeping the hysteresis effect on curves of the relative phase permeability in dependence on the porous medium's water saturation in some cycles of influence (drainage-steep-drainage) is observed. Using the earlier developed 3D method of induction electromagnetic frequency geometric monitoring, we showed the possibility of defining the physical and structural features of a hierarchical oil layer structure and estimating the water saturation from crack inclusions. This effect allows managing the process of drainage and steeping the oil out of the layer by water displacement. An algorithm was constructed for 2D modeling of sound diffraction on a porous fluid-saturated intrusion of a hierarchical

  16. Study on Rare Earth-Containing Phases in TiAl Based Alloys Prepared by Non-Equilibrium Solidification Processing

    Institute of Scientific and Technical Information of China (English)

    马学著; 沈军; 贾均

    2001-01-01

    Microstructure evolution of rare earth rich phase of rapidly-solidified (RS) TiAl based alloys was investigated. The two rapid-solidification techniques employed are melt-spinning technique (MS) and Hammer-and-Anvil technique (HA). MS ribbons and HA foils were obtained in the experiment. The results demonstrate that with the increasing of cooling rates of TiAl based alloys great changes are taken place in the microstructures of rare earth rich phase, from scattering mainly on grain boundaries of as-cast ingot to distributing homogeneously as very fine fibers or powders (nanometer grade) on the matrix. The fine paralleling second phase fibers in the HA foils are considered to be connected with γ/α2 lamellar colonies. Selected area electronic diffraction (SAED) patterns of the rare earth rich phase is in accordance with that of intermetallic AlCe.

  17. Local non-equilibrium thermodynamics.

    Science.gov (United States)

    Jinwoo, Lee; Tanaka, Hajime

    2015-01-16

    Local Shannon entropy lies at the heart of modern thermodynamics, with much discussion of trajectory-dependent entropy production. When taken at both boundaries of a process in phase space, it reproduces the second law of thermodynamics over a finite time interval for small scale systems. However, given that entropy is an ensemble property, it has never been clear how one can assign such a quantity locally. Given such a fundamental omission in our knowledge, we construct a new ensemble composed of trajectories reaching an individual microstate, and show that locally defined entropy, information, and free energy are properties of the ensemble, or trajectory-independent true thermodynamic potentials. We find that the Boltzmann-Gibbs distribution and Landauer's principle can be generalized naturally as properties of the ensemble, and that trajectory-free state functions of the ensemble govern the exact mechanism of non-equilibrium relaxation.

  18. Order and phase nucleation in non-equilibrium nanocomposite Fe-Pt thin films with perpendicular magnetic anisotropy.

    Energy Technology Data Exchange (ETDEWEB)

    Clavero, C.; Skuza, J. R.; Garcia-Martin, J. M.; Cebollada, A.; Walko, D. A.; Lukaszew, R. A.; Coll. of William and Mary; Inst. de Microelectronica de Madrid

    2009-03-01

    We report on the time evolution of mass transport upon annealing nonequilibrium Fe-Pt nanocomposite films, leading to nucleation of L1{sub 0} chemically ordered phase. The nonequilibrium nanocomposite films were fabricated by applying Fe{sup +} ion implantation to epitaxial Pt films grown on (001) MgO substrates, yielding Fe nanoclusters embedded in a Pt matrix at a tailored penetration depth. Time-resolved x-ray diffraction studies were carried out using synchrotron radiation, allowing determination of the activation energy for nucleation of the FePt L1{sub 0} phase within the segregated nanoclusters during annealing. The growth of the segregated L1{sub 0} ordered phase was modeled using ideal grain-size law and found to be dominated by strain-driven surface nucleation. The activation energies were found to correlate with the nanocluster size. Magnetic characterization of selected annealed samples indicates perpendicular magnetic anisotropy with high coercive field coincident with high value of the chemical order parameter of the ordered phase within the magnetic nanoclusters.

  19. Modeling and numerical analysis of non-equilibrium two-phase flows; Modelisation et analyse numerique des ecoulements diphasiques en desequilibre

    Energy Technology Data Exchange (ETDEWEB)

    Rascle, P.; El Amine, K. [Electricite de France (EDF), Direction des Etudes et Recherches, 92 - Clamart (France)

    1997-12-31

    We are interested in the numerical approximation of two-fluid models of nonequilibrium two-phase flows described by six balance equations. We introduce an original splitting technique of the system of equations. This technique is derived in a way such that single phase Riemann solvers may be used: moreover, it allows a straightforward extension to various and detailed exchange source terms. The properties of the fluids are first approached by state equations of ideal gas type and then extended to real fluids. For the construction of numerical schemes , the hyperbolicity of the full system is not necessary. When based on suitable kinetic unwind schemes, the algorithm can compute flow regimes evolving from mixture to single phase flows and vice versa. The whole scheme preserves the physical features of all the variables which remain in the set of physical states. Several stiff numerical tests, such as phase separation and phase transition are displayed in order to highlight the efficiency of the proposed method. The document is a PhD thesis divided in 6 chapters and two annexes. They are entitled: 1. - Introduction (in French), 2. - Two-phase flow, modelling and hyperbolicity (in French), 3. - A numerical method using upwind schemes for the resolution of two-phase flows without exchange terms (in English), 4. - A numerical scheme for one-phase flow of real fluids (in English), 5. - An upwind numerical for non-equilibrium two-phase flows (in English), 6. - The treatment of boundary conditions (in English), A.1. The Perthame scheme (in English) and A.2. The Roe scheme (in English). 136 refs. This document represents a PhD thesis in the speciality Applied Mathematics presented par Khalid El Amine to the Universite Paris 6.

  20. 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

  1. Beyond chemical accuracy: The pseudopotential approximation in diffusion Monte Carlo calculations of the HCP to BCC phase transition in beryllium

    CERN Document Server

    Shulenburger, Luke; Desjarlais, M P

    2015-01-01

    Motivated by the disagreement between recent diffusion Monte Carlo calculations and experiments on the phase transition pressure between the ambient and beta-Sn phases of silicon, we present a study of the HCP to BCC phase transition in beryllium. This lighter element provides an oppor- tunity for directly testing many of the approximations required for calculations on silicon and may suggest a path towards increasing the practical accuracy of diffusion Monte Carlo calculations of solids in general. We demonstrate that the single largest approximation in these calculations is the pseudopotential approximation. After removing this we find excellent agreement with experiment for the ambient HCP phase and results similar to careful calculations using density functional theory for the phase transition pressure.

  2. Uniqueness of Specific Interfacial Area–Capillary Pressure–Saturation Relationship Under Non-Equilibrium Conditions in Two-Phase Porous Media Flow

    KAUST Repository

    Joekar-Niasar, Vahid

    2012-02-23

    The capillary pressure-saturation (P c-S w) relationship is one of the central constitutive relationships used in two-phase flow simulations. There are two major concerns regarding this relation. These concerns are partially studied in a hypothetical porous medium using a dynamic pore-network model called DYPOSIT, which has been employed and extended for this study: (a) P c-S w relationship is measured empirically under equilibrium conditions. It is then used in Darcy-based simulations for all dynamic conditions. This is only valid if there is a guarantee that this relationship is unique for a given flow process (drainage or imbibition) independent of dynamic conditions; (b) It is also known that P c-S w relationship is flow process dependent. Depending on drainage and imbibition, different curves can be achieved, which are referred to as "hysteresis". A thermodynamically derived theory (Hassanizadeh and Gray, Water Resour Res 29: 3389-3904, 1993a) suggests that, by introducing a new state variable, called the specific interfacial area (a nw, defined as the ratio of fluid-fluid interfacial area to the total volume of the domain), it is possible to define a unique relation between capillary pressure, saturation, and interfacial area. This study investigates these two aspects of capillary pressure-saturation relationship using a dynamic pore-network model. The simulation results imply that P c-S w relation not only depends on flow process (drainage and imbibition) but also on dynamic conditions for a given flow process. Moreover, this study attempts to obtain the first preliminary insights into the global functionality of capillary pressure-saturation-interfacial area relationship under equilibrium and non-equilibrium conditions and the uniqueness of P c-S w-a nw relationship. © 2012 The Author(s).

  3. Preparation and Thermal Stability of Ultrafine Nickel Powders Containing hcp-Ni Nanocrystallites Using Liquid-Phase Reduction Method

    Science.gov (United States)

    Xia, Zhimei; Jin, Shengming; Liu, Kun

    2016-10-01

    Ultrafine nickel powders containing hexagonal close-packed nickel (hcp-Ni) nanocrystallites were prepared using liquid-phase reduction with NiC2O4, NaOH, polyvinylpyrrolidone (PVP), and ethylene glycol (EG). The nickel powders were characterized by XRD and SEM. TG analysis was used to determine the thermal stability of ultrafine nickel powders. The results showed that nickel powders with 45.1 pct of hcp-Ni nanocrystallites were synthesized under the following conditions: a reflux time of 3 hours, an NiC2O4-to-EG molar ratio of 0.01, 5 g/L PVP, and 85 g/L NaOH. SEM results illustrated that spherical particles of size 500 nm were obtained. The results of thermal stability showed that the antioxidant property at high temperature was improved with the increase of hcp-Ni content. The oxidation rate of nickel powders with 43.3 pct hcp-Ni was less than 50 pct even if the temperature was up to 873 K (600 °C).

  4. Thermodynamic properties of binary hcp solution phases from special quasirandom structures

    Science.gov (United States)

    Shin, Dongwon; Arróyave, Raymundo; Liu, Zi-Kui; van de Walle, Axel

    2006-07-01

    Three different special quasirandom structures (SQS’s) of the substitutional hcp A1-xBx binary random solutions ( x=0.25 , 0.5, and 0.75) are presented. These structures are able to mimic the most important pair and multi-site correlation functions corresponding to perfectly random hcp solutions at those compositions. Due to the relatively small size of the generated structures, they can be used to calculate the properties of random hcp alloys via first-principles methods. The structures are relaxed in order to find their lowest energy configurations at each composition. In some cases, it was found that full relaxation resulted in complete loss of their parental symmetry as hcp so geometry optimizations in which no local relaxations are allowed were also performed. In general, the first-principles results for the seven binary systems (Cd-Mg, Mg-Zr, Al-Mg, Mo-Ru, Hf-Ti, Hf-Zr, and Ti-Zr) show good agreement with both formation enthalpy and lattice parameters measurements from experiments. It is concluded that the SQS’s presented in this work can be widely used to study the behavior of random hcp solutions.

  5. Ideal strength and deformation-induced phase transformation of hcp metals Re, Ru, and Os: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Wang Jie, E-mail: wjzamb@gmail.com [Department of Basic Courses, Ordnance Engineering College, Shijiazhuang 050003 (China); Qi Jianying; Zhou Xian [Department of Basic Courses, Ordnance Engineering College, Shijiazhuang 050003 (China)

    2012-02-01

    Highlights: Black-Right-Pointing-Pointer Ideal strengths of hcp metals Re, Ru, and Os were reported for the first time. Black-Right-Pointing-Pointer An hcp {yields} fct {yields} fcc phase transformation was found generally by [112{sup Macron }0] tension. Black-Right-Pointing-Pointer The ideal shear strength is shown to be a good predictor of hardness. Black-Right-Pointing-Pointer Variation in electronic structure accommodates yielding at the critical strain. - Abstract: The intrinsic mechanical properties, deformation-induced transformation, and electronic deformation mechanisms of hexagonal close-packed metals Re, Ru, and Os were systematically studied by density functional theory. The ideal strength, elastic moduli, and toughness parameter were fully presented. Os has the largest ideal strengths and moduli over Re and Ru. Although Re has larger moduli than Ru, its strength is smaller. Thus larger modulus does not mean larger strength. The toughness was predicted to be Re > Ru > Os, reversing brittleness. The ideal shear strength of the easiest slip direction is proposed to qualitatively predict the hardness. A hcp {yields} fct {yields} fcc phase transformation was achieved during [112{sup Macron }0] uniaxial tension. The corresponding energy barriers are 0.29, 0.32, and 0.42 eV/atom for Re, Ru, and Os, respectively. The electronic mechanism underlying yielding was clarified to be bond breaking accompanying disappearance of 'pseudo-gap'. The flow of electron accumulation between charge depletion accommodates the structural transition.

  6. Mesoscopic thermodynamics of stationary non-equilibrium states

    Energy Technology Data Exchange (ETDEWEB)

    SantamarIa-Holek, I [Facultad de Ciencias, Universidad Nacional Autonoma de Mexico, Circuito exterior de Ciudad Universitaria, 04510 DF (Mexico); RubI, J M [Facultad de FIsica, Universitat de Barcelona, Av. Diagonal 647, 08028, Barcelona (Spain); Perez-Madrid, A [Facultad de FIsica, Universitat de Barcelona, Av. Diagonal 647, 08028, Barcelona (Spain)

    2005-01-01

    Thermodynamics for systems at non-equilibrium stationary states have been formulated, based on the assumption of the existence of a local equilibrium in phase space which enables one to interpret the probability density and its conjugated non-equilibrium chemical potential as mesoscopic thermodynamic variables. The probability current is obtained from the entropy production related to the probability diffusion process and leads to the formulation of the Fokker-Planck equation. For the case of a gas of Brownian particles under steady flow in the dilute and concentrated regimes, we derive non-equilibrium equations of state.

  7. Non-Equilibrium Transitions of Heliospheric plasma

    Science.gov (United States)

    Livadiotis, G.; McComas, D. J.

    2011-12-01

    Recent advances in Space Physics theory have established the connection between non-extensive Statistical Mechanics and space plasmas by providing a theoretical basis for the empirically derived kappa distributions commonly used to describe the phase space distribution functions of these systems [1]. The non-equilibrium temperature and the kappa index that govern these distributions are the two independent controlling parameters of non-equilibrium systems [1-3]. The significance of the kappa index is primarily given by its role in identifying the non-equilibrium stationary states, and measuring their "thermodynamic distance" from thermal equilibrium [4], while its physical meaning is connected to the correlation between the system's particles [5]. For example, analysis of the IBEX high Energetic Neutral Atom spectra [6] showed that the vast majority of measured kappa indices are between ~1.5 and ~2.5, consistent with the far-equilibrium "cavity" of minimum entropy discovered by Livadiotis & McComas [2]. Spontaneous procedures that can increase the entropy, move the system gradually toward equilibrium, that is the state with the maximum (infinite) kappa index. Other external factors that may decrease the entropy, move the system back to states further from equilibrium where the kappa indices are smaller. Newly formed pick-up ions can play this critical role in the solar wind and other space plasmas. We have analytically shown that their highly ordered motion can reduce the average entropy in the plasma beyond the termination shock, inside the inner heliosheath [7]. Non-equilibrium transitions have a key role in understanding the governing thermodynamical processes of space plasmas. References 1. Livadiotis, G., & McComas, D. J. 2009, JGR, 114, 11105. 2. Livadiotis, G., & McComas, D. J. 2010a, ApJ, 714, 971. 3. Livadiotis, G., & McComas, D. J. 2010c, in AIP Conf. Proc. 9, Pickup Ions Throughout the Heliosphere and Beyond, ed. J. LeRoux, V. Florinski, G. P. Zank, & A

  8. Modelling non-equilibrium secondary organic aerosol formation and evaporation with the aerosol dynamics, gas- and particle-phase chemistry kinetic multilayer model ADCHAM

    Energy Technology Data Exchange (ETDEWEB)

    Roldin, P.; Eriksson, A. C.; Nordin, E. Z.; Hermansson, E.; Mogensen, Ditte; Rusanen, A.; Boy, Michael; Swietlicki, E.; Svenningsson, Birgitta; Zelenyuk, Alla; Pagels, J.

    2014-08-11

    We have developed the novel Aerosol Dynamics, gas- and particle- phase chemistry model for laboratory CHAMber studies (ADCHAM). The model combines the detailed gas phase Master Chemical Mechanism version 3.2, an aerosol dynamics and particle phase chemistry module (which considers acid catalysed oligomerization, heterogeneous oxidation reactions in the particle phase and non-ideal interactions between organic compounds, water and inorganic ions) and a kinetic multilayer module for diffusion limited transport of compounds between the gas phase, particle surface and particle bulk phase. In this article we describe and use ADCHAM to study: 1) the mass transfer limited uptake of ammonia (NH3) and formation of organic salts between ammonium (NH4+) and carboxylic acids (RCOOH), 2) the slow and almost particle size independent evaporation of α-pinene secondary organic aerosol (SOA) particles, and 3) the influence of chamber wall effects on the observed SOA formation in smog chambers.

  9. Photoproduction Enhancement from Non Equilibrium Disoriented Chiral Condensates

    CERN Document Server

    Boyanovsky, D; Holman, R; Kumar, S P

    1997-01-01

    We study photoproduction during the non-equilibrium stages of the formation of chiral condensates within the ``quench'' scenario of the chiral phase transition. The dynamics is modeled with a gauged linear sigma model. A novel quantum kinetic approach to the description of photoproduction far off equilibrium is developed. We find that non-equilibrium spinodal instabilities of long wavelength pion fluctuations are responsible for an enhanced photoproduction rate for energies $\\leq 80$ MeV at order $\\alpha$. These non-equilibrium effects lead to a larger contribution than the typical processes in the medium, including that of the anomalous neutral pion decay evolution of the dynamics throughout the phase transition, which in this scenario occurs on a time scale of about $2.5-3$ fm/c and integrate the photon yield through its evolution. The spectrum of photons produced throughout the phase transition is a non- equilibrium one. For thermal initial conditions at the time of the quench it interpolates between a the...

  10. A general unified non-equilibrium model for predicting saturated and subcooled critical two-phase flow rates through short and long tubes

    Energy Technology Data Exchange (ETDEWEB)

    Fraser, D.W.H. [Univ. of British Columbia (Canada); Abdelmessih, A.H. [Univ. of Toronto, Ontario (Canada)

    1995-09-01

    A general unified model is developed to predict one-component critical two-phase pipe flow. Modelling of the two-phase flow is accomplished by describing the evolution of the flow between the location of flashing inception and the exit (critical) plane. The model approximates the nonequilibrium phase change process via thermodynamic equilibrium paths. Included are the relative effects of varying the location of flashing inception, pipe geometry, fluid properties and length to diameter ratio. The model predicts that a range of critical mass fluxes exist and is bound by a maximum and minimum value for a given thermodynamic state. This range is more pronounced at lower subcooled stagnation states and can be attributed to the variation in the location of flashing inception. The model is based on the results of an experimental study of the critical two-phase flow of saturated and subcooled water through long tubes. In that study, the location of flashing inception was accurately controlled and adjusted through the use of a new device. The data obtained revealed that for fixed stagnation conditions, the maximum critical mass flux occurred with flashing inception located near the pipe exit; while minimum critical mass fluxes occurred with the flashing front located further upstream. Available data since 1970 for both short and long tubes over a wide range of conditions are compared with the model predictions. This includes test section L/D ratios from 25 to 300 and covers a temperature and pressure range of 110 to 280{degrees}C and 0.16 to 6.9 MPa. respectively. The predicted maximum and minimum critical mass fluxes show an excellent agreement with the range observed in the experimental data.

  11. 3.6 and 4.5 Micron Phase Curves and Evidence for Non-Equilibrium Chemistry in the Atmosphere of Extrasolar Planet HD 189733b

    CERN Document Server

    Knutson, Heather A; Fortney, Jonathan J; Burrows, Adam; Showman, Adam P; Cowan, Nicolas B; Agol, Eric; Aigrain, Suzanne; Charbonneau, David; Deming, Drake; Desert, Jean-Michel; Henry, Gregory W; Langton, Jonathan; Laughlin, Gregory

    2012-01-01

    We present new, full-orbit observations of the infrared phase variations of the canonical hot Jupiter HD 189733b obtained in the 3.6 and 4.5 micron bands using the Spitzer Space Telescope. When combined with previous phase curve observations at 8.0 and 24 micron, these data allow us to characterize the exoplanet's emission spectrum as a function of planetary longitude. We utilize improved methods for removing the effects of intrapixel sensitivity variations and accounting for the presence of time-correlated noise in our data. We measure a phase curve amplitude of 0.1242% +/- 0.0061% in the 3.6 micron band and 0.0982% +/- 0.0089% in the 4.5 micron band. We find that the times of minimum and maximum flux occur several hours earlier than predicted for an atmosphere in radiative equilibrium, consistent with the eastward advection of gas by an equatorial super-rotating jet. The locations of the flux minima in our new data differ from our previous observations at 8 micron, and we present new evidence indicating tha...

  12. Non-equilibrium properties of hadronic mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Prakasch, Madappa (State Univ. of New York, Stony Brook, NY (United States). Physics Dept.); Prakasch, Manju (State Univ. of New York, Stony Brook, NY (United States). Physics Dept.); Venugopalan, R. (State Univ. of New York, Stony Brook, NY (United States). Physics Dept.); Welke, G. (Michigan State Univ., East Lansing, MI (United States). National Superconducting Cyclotron Lab.)

    1993-05-01

    The equilibration of hot hadronic matter is studied in the framework of relativistic kinetic theory. Various non-equilibrium properties of a mixture comprised of pions, kaons and nucleons are calculated in the dilute limit for small deviations from local thermal equilibrium. Interactions between these constituents are specified through the empirical phase shifts. The properties calculated include the relaxation/collision times, momentum and energy persistence ratios in elastic collisions, and transport properties such as the viscosity, the thermal conductivity, and the diffusion and thermal diffusion coefficients. The Chapman-Enskog formalism is extended to extract relaxation times associated with shear and heat flows, and drag and diffusion flows in a mixture. The equilibrium number concentration of the constituents is chosen to mimic those expected in the mid-rapidity interval of CERN and RHIC experiments. In this case, kaons and nucleons are found to equilibrate significantly more slowly than pions. These results shed new light on the influence of collective flow effects on the transverse momentum distributions of kaons and nucleons versus those of pions in ultra-relativistic nuclear collisions. (orig.)

  13. Aerospace Applications of Non-Equilibrium Plasma

    Science.gov (United States)

    Blankson, Isaiah M.

    2016-01-01

    Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).

  14. 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...

  15. The dynamics of vortex structures and states of current in plasma-like fluids and the electrical explosion of conductors; 1, the model of a non-equilibrium phase transition

    CERN Document Server

    Volkov, N B

    1993-01-01

    A set of equations according to which the conducting medium consists of two fluids - laminar and vortex, has been obtained in the present paper by transforming MHD equations. In a similar way, an electronic fluid is assumed to consist of a laminar and a vortex fluid. This system allows one to study the formation and the dynamics of large-scale hydrodynamic fluctuations. From this model a model of a non-equilibrium phase transition belonging to a class of the Lorenz-type models has been developed [Lorenz E N 1963 J. Atmos. Sci. {\\bf 20} 130]. Vortex structures resulting in the increase in an effective resistance of the conducting medium and the interruption of current have been shown to appear even at constant transport coefficients in a laminar electronic fluid. Critical exponents of the parameters of an order (amplitudes), which for a direct current coincide with the critical exponents in the Lorenz model, have been found. A spatial scale of the structure described by the theory is in good agreement with exp...

  16. 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.

  17. 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...

  18. 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.

  19. Dynamical Non-Equilibrium Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Giovanni Ciccotti

    2013-12-01

    Full Text Available In this review, we discuss the Dynamical approach to Non-Equilibrium Molecular Dynamics (D-NEMD, which extends stationary NEMD to time-dependent situations, be they responses or relaxations. Based on the original Onsager regression hypothesis, implemented in the nineteen-seventies by Ciccotti, Jacucci and MacDonald, the approach permits one to separate the problem of dynamical evolution from the problem of sampling the initial condition. D-NEMD provides the theoretical framework to compute time-dependent macroscopic dynamical behaviors by averaging on a large sample of non-equilibrium trajectories starting from an ensemble of initial conditions generated from a suitable (equilibrium or non-equilibrium distribution at time zero. We also discuss how to generate a large class of initial distributions. The same approach applies also to the calculation of the rate constants of activated processes. The range of problems treatable by this method is illustrated by discussing applications to a few key hydrodynamic processes (the “classical” flow under shear, the formation of convective cells and the relaxation of an interface between two immiscible liquids.

  20. Non-equilibrium Dynamics of DNA Nanotubes

    Science.gov (United States)

    Hariadi, Rizal Fajar

    Can the fundamental processes that underlie molecular biology be understood and simulated by DNA nanotechnology? The early development of DNA nanotechnology by Ned Seeman was driven by the desire to find a solution to the protein crystallization problem. Much of the later development of the field was also driven by envisioned applications in computing and nanofabrication. While the DNA nanotechnology community has assembled a versatile tool kit with which DNA nanostructures of considerable complexity can be assembled, the application of this tool kit to other areas of science and technology is still in its infancy. This dissertation reports on the construction of non-equilibrium DNA nanotube dynamic to probe molecular processes in the areas of hydrodynamics and cytoskeletal behavior. As the first example, we used DNA nanotubes as a molecular probe for elongational flow measurement in different micro-scale flow settings. The hydrodynamic flow in the vicinity of simple geometrical objects, such as a rigid DNA nanotube, is amenable to rigorous theoretical investigation. We measured the distribution of elongational flows produced in progressively more complex settings, ranging from the vicinity of an orifice in a microfluidic chamber to within a bursting bubble of Pacific ocean water. This information can be used to constrain theories on the origin of life in which replication involves a hydrodynamically driven fission process, such as the coacervate fission proposed by Oparin. A second theme of this dissertation is the bottom-up construction of a de novo artificial cytoskeleton with DNA nanotubes. The work reported here encompasses structural, locomotion, and control aspects of non-equilibrium cytoskeletal behavior. We first measured the kinetic parameters of DNA nanotube assembly and tested the accuracy of the existing polymerization models in the literature. Toward recapitulation of non-equilibrium cytoskeletal dynamics, we coupled the polymerization of DNA

  1. Tuning non-equilibrium superconductors with lasers

    Energy Technology Data Exchange (ETDEWEB)

    Sentef, Michael A.; Kollath, Corinna [HISKP, University of Bonn, Nussallee 14-16, D-53115 Bonn (Germany); Kemper, Alexander F. [LBL Berkeley (United States); Georges, Antoine [Ecole Polytechnique and College de France, Paris (France)

    2015-07-01

    The study of the real-time dynamics dynamics of solids perturbed by short laser pulses is an intriguing opportunity of ultrafast materials science. Previous theoretical work on pump-probe photoemission spectroscopy revealed spectroscopic signatures of electron-boson coupling, which are reminiscent of features observed in recent pump-probe photoemission experiments on cuprate superconductors. Here we investigate the ordered state of electron-boson mediated superconductors subject to laser driving using Migdal-Eliashberg theory on the Kadanoff-Baym-Keldysh contour. We extract the characteristic time scales on which the non-equilibrium superconductor reacts to the perturbation, and their relation to the coupling boson and the underlying order.

  2. 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.

  3. The transformation dynamics towards equilibrium in non-equilibrium w/w/o double emulsions

    Science.gov (United States)

    Chao, Youchuang; Mak, Sze Yi; Shum, Ho Cheung

    2016-10-01

    We use a glass-based microfluidic device to generate non-equilibrium water-in-water-in-oil (w/w/o) double emulsions and study how they transform into equilibrium configurations. The method relies on using three immiscible liquids, with two of them from the phase-separated aqueous two-phase systems. We find that the transformation is accompanied by an expansion rim, while the characteristic transformation speed of the rim mainly depends on the interfacial tension between the innermost and middle phases, as well as the viscosity of the innermost phase when the middle phase is non-viscous. Remarkably, the viscosity of the outermost phase has little effect on the transformation speed. Our results account for the dynamics of non-equilibrium double emulsions towards their equilibrium structure and suggest a possibility to utilize the non-equilibrium drops to synthesize functional particles.

  4. 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.

  5. 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.

  6. 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.

  7. Non-Equilibrium Phenomena in High Power Beam Materials Processing

    Science.gov (United States)

    Tosto, Sebastiano

    2004-03-01

    The paper concerns some aspects of non-equilibrium materials processing with high power beams. Three examples show that the formation of metastable phases plays a crucial role to understand the effects of beam-matter interaction: (i) modeling of pulsed laser induced thermal sputtering; (ii) formation of metastable phases during solidification of the melt pool; (i) possibility of carrying out heat treatments by low power irradiation ``in situ''. The case (i) deals with surface evaporation and boiling processes in presence of superheating. A computer simulation model of thermal sputtering by vapor bubble nucleation in molten phase shows that non-equilibrium processing enables the rise of large surface temperature gradients in the boiling layer and the possibility of sub-surface temperature maximum. The case (ii) concerns the heterogeneous welding of Cu and AISI 304L stainless steel plates by electron beam irradiation. Microstructural investigation of the molten zone has shown that dwell times of the order of 10-1-10-3 s, consistent with moderate cooling rates in the range 10^3-10^5 K/s, entail the formation of metastable Cu-Fe phases. The case (iii) concerns electron beam welding and post-welding treatments of 2219 Al base alloy. Electron microscopy and positron annihilation have explained why post-weld heat transients induced by low power irradiation of specimens in the as welded condition enable ageing effects usually expected after some hours of treatment in furnace. The problem of microstructural instability is particularly significant for a correct design of components manufactured with high power beam technologies and subjected to severe acceptance standards to ensure advanced performances during service life.

  8. Analysis of Instabilities in Non-Equilibrium Plasmas

    Institute of Scientific and Technical Information of China (English)

    LIN Lie; WU Bin; ZHANG Peng; WANG Yong-Qing

    2004-01-01

    Plasma instabilities with charged particle production processes in non-equilibrium plasma are analysed. A criterion on plasma instabilities is deduced by first-order perturbation theory. The relationship between plasma instabilities and certain factors (degree of non-equilibrium in plasma, the electron attachment rate coefficient and electron temperature) are described.

  9. Topologically protected modes in non-equilibrium stochastic systems

    Science.gov (United States)

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2017-01-01

    Non-equilibrium driving of biophysical processes is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enzymatic specificity and maintenance of coherent oscillations. Elucidating the relation between energy consumption and organization remains an important and open question in non-equilibrium statistical mechanics. Here we report that steady states of systems with non-equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. Akin to their electronic and mechanical counterparts, topological-protected boundary steady states in non-equilibrium systems are robust and are largely insensitive to local perturbations. We argue that our work provides a framework for how biophysical systems can use non-equilibrium driving to achieve robust function.

  10. Non-equilibrium thermodynamics of small-scale systems

    Energy Technology Data Exchange (ETDEWEB)

    Rubi, J. Miguel [Departament de Fisica Fonamental, Facultat de Fisica, Universitat de Barcelona, Marti i Franques, 1, 08028-Barcelona (Spain)]. E-mail: mrubi@ub.edu

    2007-04-15

    Small thermodynamic systems exhibit peculiar behavior different from that observed in long-scale systems. Non-equilibrium processes taking place in those systems are strongly influenced by the presence of fluctuations which can be large. Contributions to the free energy which vanish at the infinite number of particles limit cannot be neglected and may exert an important influence on the dynamics. We show that in spite of these important differences, the method of non-equilibrium thermodynamics still applies when reducing the size of the system. By using this method, assumption of local equilibrium at the mesoscale thereby leads to the formulation of a mesoscopic non-equilibrium thermodynamics from which expressions for the non-equilibrium currents and kinetic equations for the probability density can be obtained.

  11. Non-equilibrium in low-temperature plasmas

    Science.gov (United States)

    Taccogna, Francesco; Dilecce, Giorgio

    2016-11-01

    The wide range of applications of cold plasmas originates from their special characteristic of being a physical system out of thermodynamic equilibrium. This property enhances its reactivity at low gas temperature and allows to obtain macroscopic effects with a moderate energy consumption. In this review, the basic concepts of non-equilibrium in ionized gases are treated by showing why and how non-equilibrium functions of the degrees of freedom are formed in a variety of natural and man-made plasmas with particular emphasis on the progress made in the last decade. The modern point of view of a molecular basis of non-equilibrium and of a state-to-state kinetic approach is adopted. Computational and diagnostic techniques used to investigate the non-equilibrium conditions are also surveyed.

  12. Non-Equilibrium Thermodynamics of Self-Replicating Protocells

    DEFF Research Database (Denmark)

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

    2017-01-01

    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....

  13. Power conversion efficiency of non-equilibrium light absorption

    Directory of Open Access Journals (Sweden)

    I. Santamaría-Holek

    2017-04-01

    Full Text Available We deduce a novel expression for the non-equilibrium photochemical potential and the power conversion efficiency of non-equilibrium light absorption by a thermostated material. Application of our results for the case of electron migration from valence to conduction bands in photovoltaic cells allows us to accurately interpolate experimental results for the maximal efficiencies of Ge-, Si-, GaAs-based cells and the like.

  14. Non-equilibrium and band tailing in organic conductors

    Indian Academy of Sciences (India)

    A T Oza; P C Vinodkumar; R G Patel

    2003-03-01

    The concept of band tailing with focal point and width of the tail from IR absorption spectra of different organic conductors is found valid even for thermal and elastic changes. The experimental situations like change of solvents, method of preparation, applied pressure and pressure cycle apart from compositions is analyzed within the framework of tailing of states. Non-equilibrium due to coupling between applied energy and free electrons can be responsible for the exponential relaxation from non-equilibrium to equilibrium.

  15. Non-Equilibrium Thermodynamics in Conformal Field Theory

    CERN Document Server

    Hollands, Stephan

    2016-01-01

    We present a model independent, operator algebraic approach to non-equilibrium quantum thermodynamics within the framework of two-dimensional Conformal Field Theory. Two infinite reservoirs in equilibrium at their own temperatures and chemical potentials are put in contact through a defect line, possibly by inserting a probe. As time evolves, the composite system then approaches a non-equilibrium steady state that we describe. In particular, we re-obtain recent formulas of Bernard and Doyon.

  16. 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.

  17. Discovery of a thermally persistent h.c.p. solid-solution phase in the Ni-W system

    Energy Technology Data Exchange (ETDEWEB)

    Kurz, S. J. B., E-mail: s.kurz@is.mpg.de; Leineweber, A. [Max Planck Institute for Intelligent Systems (formerly Max Planck Institute for Metals Research), Heisenbergstraße 3, D-70569 Stuttgart (Germany); Maisel, S. B.; Höfler, M.; Müller, S. [Institute of Advanced Ceramics, Hamburg University of Technology, Denickestraße 15, D-21073 Hamburg (Germany); Mittemeijer, E. J. [Max Planck Institute for Intelligent Systems (formerly Max Planck Institute for Metals Research), Heisenbergstraße 3, D-70569 Stuttgart (Germany); Institute for Materials Science, University of Stuttgart, Heisenbergstraße 3, D-70569 Stuttgart (Germany)

    2014-08-28

    Although the accepted Ni-W phase diagram does not reveal the existence of h.c.p.-based phases, h.c.p.-like stacking sequences were observed in magnetron-co-sputtered Ni-W thin films at W contents of 20 to 25 at. %, by using transmission electron microscopy and X-ray diffraction. The occurrence of this h.c.p.-like solid-solution phase could be rationalized by first-principles calculations, showing that the vicinity of the system's ground-state line is populated with metastable h.c.p.-based superstructures in the intermediate concentration range from 20 to 50 at. % W. The h.c.p.-like stacking in Ni-W films was observed to be thermally persistent, up to temperatures as high as at least 850 K, as evidenced by extensive X-ray diffraction analyses on specimens before and after annealing treatments. The tendency of Ni-W for excessive planar faulting is discussed in the light of these new findings.

  18. Non-equilibrium modelling of arc plasma torches

    Energy Technology Data Exchange (ETDEWEB)

    Trelles, J P; Heberlein, J V R; Pfender, E [Department of Mechanical Engineering, University of Minnesota, Minneapolis, MN 55455 (United States)

    2007-10-07

    A two-temperature thermal non-equilibrium model is developed and applied to the three-dimensional and time-dependent simulation of the flow inside a dc arc plasma torch. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The fluid and electromagnetic equations in both models are approximated numerically in a fully-coupled approach by a variational multi-scale finite element method. In contrast to the equilibrium model, the non-equilibrium model did not need a separate reattachment model to produce an arc reattachment process and to limit the magnitude of the total voltage drop and arc length. The non-equilibrium results show large non-equilibrium regions in the plasma-cold-flow interaction region and close to the anode surface. Marked differences in the arc dynamics, especially in the arc reattachment process, and in the magnitudes of the total voltage drop and outlet temperatures and velocities between the models are observed. The non-equilibrium results show improved agreement with experimental observations.

  19. Phase transition of 2×2 adsorbates on FCC(1 1 1) and HCP(0 0 0 1) surfaces

    Science.gov (United States)

    Sakamoto, Yoshifumi

    2003-04-01

    Order-disorder transition of adsorbates at metal surfaces is discussed based on Monte Carlo calculations for a lattice gas model on a triangular net. Repulsive interactions up to second neighbour sites and fixed concentration 1/4 of particles of lattice gas, are assumed for the 2×2 ordered structure. Calculated phase diagram and the critical exponent for susceptibility are presented. Stress is put on cases other than the second-order transition belonging to the four-state Potts universality class.

  20. Non-equilibrium control of complex solids by nonlinear phononics

    Science.gov (United States)

    Mankowsky, Roman; Först, Michael; Cavalleri, Andrea

    2016-06-01

    We review some recent advances in the use of optical fields at terahertz frequencies to drive the lattice of complex materials. We will focus on the control of low energy collective properties of solids, which emerge on average when a high frequency vibration is driven and a new crystal structure induced. We first discuss the fundamentals of these lattice rearrangements, based on how anharmonic mode coupling transforms an oscillatory motion into a quasi-static deformation of the crystal structure. We then discuss experiments, in which selectively changing a bond angle turns an insulator into a metal, accompanied by changes in charge, orbital and magnetic order. We then address the case of light induced non-equilibrium superconductivity, a mysterious phenomenon observed in some cuprates and molecular materials when certain lattice vibrations are driven. Finally, we show that the dynamics of electronic and magnetic phase transitions in complex-oxide heterostructures follow distinctly new physical pathways in case of the resonant excitation of a substrate vibrational mode.

  1. Non-equilibrium Warm Dense Gold: Experiments and Simulations

    Science.gov (United States)

    Ng, Andrew

    2015-11-01

    This talk is an overview of a series of studies of non-equilibrium Warm Dense Matter using a broad range of measured properties of a single material, namely Au, as comprehensive benchmarks for theory. The measurements are made in fs-laser pump-probe experiments. For understanding lattice stability, our investigation reveals a solid phase at high energy density. This leads to the calculation of lattice dynamics using MD simulations and phonon hardening in DFT-MD simulations. For understanding electron transport in two-temperature states, AC conductivity is used to evaluate DFT-MD and Kubo-Greenwood calculations while DC conductivity is used to test Ziman calculations in a DFT average atom model. The electron density is also used to assess electronic structure calculations in DFT simulations. In our latest study of electron kinetics in states with a non-Fermi-Dirac distribution, three-body recombination is found to have a significant effect on electron thermalizaiton time. This is driving an effort to develop electron kinetics simulations using the Boltzmann equation method.

  2. A probability theory for non-equilibrium gravitational systems

    Science.gov (United States)

    Peñarrubia, Jorge

    2015-08-01

    This paper uses dynamical invariants to describe the evolution of collisionless systems subject to time-dependent gravitational forces without resorting to maximum-entropy probabilities. We show that collisionless relaxation can be viewed as a special type of diffusion process in the integral-of-motion space. In time-varying potentials with a fixed spatial symmetry the diffusion coefficients are closely related to virial quantities, such as the specific moment of inertia, the virial factor and the mean kinetic and potential energy of microcanonical particle ensembles. The non-equilibrium distribution function is found by convolving the initial distribution function with the Green function that solves Einstein's equation for freely diffusing particles. Such a convolution also yields a natural solution to the Fokker-Planck equations in the energy space. Our mathematical formalism can be generalized to potentials with a time-varying symmetry, where diffusion extends over multiple dimensions of the integral-of-motion space. The new probability theory is in many ways analogous to stochastic calculus, with two significant differences: (i) the equations of motion that govern the trajectories of particles are fully deterministic, and (ii) the diffusion coefficients can be derived self-consistently from microcanonical phase-space averages without relying on ergodicity assumptions. For illustration we follow the cold collapse of N-body models in a time-dependent logarithmic potential. Comparison between the analytical and numerical results shows excellent agreement in regions where the potential evolution does not depart too strongly from the adiabatic regime.

  3. Non-equilibrium dynamics of language games on complex networks

    CERN Document Server

    Dall'Asta, L; Barrat, A; Loreto, V; Asta, Luca Dall'; Baronchelli, Andrea; Barrat, Alain; Loreto, Vittorio

    2006-01-01

    The Naming Game is a model of non-equilibrium dynamics for the self-organized emergence of a linguistic convention or a communication system in a population of agents with pairwise local interactions. We present an extensive study of its dynamics on complex networks, that can be considered as the most natural topological embedding for agents involved in language games and opinion dynamics. Except for some community structured networks on which metastable phases can be observed, agents playing the Naming Game always manage to reach a global consensus. This convergence is obtained after a time generically scaling with the population's size $N$ as $t\\_{conv} \\sim N^{1.4 \\pm 0.1}$, i.e. much faster than for agents embedded on regular lattices. Moreover, the memory capacity required by the system scales only linearly with its size. Particular attention is given to heterogenous networks, in which the dynamical activity pattern of a node depends on its degree. High degree nodes have a fundamental role, but require l...

  4. Non-equilibrium universality in the dynamics of dissipative cold atomic gases

    Science.gov (United States)

    Marcuzzi, M.; Levi, E.; Li, W.; Garrahan, J. P.; Olmos, B.; Lesanovsky, I.

    2015-07-01

    The theory of continuous phase transitions predicts the universal collective properties of a physical system near a critical point, which for instance manifest in characteristic power-law behaviours of physical observables. The well-established concept at or near equilibrium, universality, can also characterize the physics of systems out of equilibrium. The most fundamental instance of a genuine non-equilibrium phase transition is the directed percolation (DP) universality class, where a system switches from an absorbing inactive to a fluctuating active phase. Despite being known for several decades it has been challenging to find experimental systems that manifest this transition. Here we show theoretically that signatures of the DP universality class can be observed in an atomic system with long-range interactions. Moreover, we demonstrate that even mesoscopic ensembles—which are currently studied experimentally—are sufficient to observe traces of this non-equilibrium phase transition in one, two and three dimensions.

  5. Thermal non-equilibrium in heterogeneous media

    CERN Document Server

    de Lemos, Marcelo J S

    2016-01-01

    This book presents, in a self-contained fashion, a series of studies on flow and heat transfer in porous media, in which distinct energy balances are considered for the porous matrix and for the permeating fluid. Detailed mathematical modeling is presented considering both volume and time averaging operators simultaneously applied to the governing equations. System involving combustion in the gaseous phase, moving bed and double-diffusion mechanism are analyzed. Numerical results are presented for each case. In the end, this book contains the description of a tool that might benefit engineers in developing and designing more efficient thermal equipment.

  6. Non-equilibrium effects in VECSELs

    Science.gov (United States)

    Hader, J.; Kilen, I.; Koch, S. W.; Moloney, J. V.

    2017-02-01

    A systematic study of microscopic many-body dynamics is used to analyze a strategy for how to generate ultrashort mode locked pulses in the vertical external-cavity surface-emitting lasers with a saturable absorber mirror. The field propagation is simulated using Maxwell's equations and is coupled to the polarization from the quantum wells using the semiconductor Bloch equations. Simulations on the level of second Born-Markov are used to fit coefficients for microscopic higher order correlation effects such as dephasing of the polarization, carrier-carrier scattering and carrier relaxation. We numerically examine recent published experimental results on mode locked pulses, as well as the self phase modulation in the gain chip and SESAM.

  7. Non-Equilibrium Effects on Hypersonic Turbulent Boundary Layers

    Science.gov (United States)

    Kim, Pilbum

    Understanding non-equilibrium effects of hypersonic turbulent boundary layers is essential in order to build cost efficient and reliable hypersonic vehicles. It is well known that non-equilibrium effects on the boundary layers are notable, but our understanding of the effects are limited. The overall goal of this study is to improve the understanding of non-equilibrium effects on hypersonic turbulent boundary layers. A new code has been developed for direct numerical simulations of spatially developing hypersonic turbulent boundary layers over a flat plate with finite-rate reactions. A fifth-order hybrid weighted essentially non-oscillatory scheme with a low dissipation finite-difference scheme is utilized in order to capture stiff gradients while resolving small motions in turbulent boundary layers. The code has been validated by qualitative and quantitative comparisons of two different simulations of a non-equilibrium flow and a spatially developing turbulent boundary layer. With the validated code, direct numerical simulations of four different hypersonic turbulent boundary layers, perfect gas and non-equilibrium flows of pure oxygen and nitrogen, have been performed. In order to rule out uncertainties in comparisons, the same inlet conditions are imposed for each species, and then mean and turbulence statistics as well as near-wall turbulence structures are compared at a downstream location. Based on those comparisons, it is shown that there is no direct energy exchanges between internal and turbulent kinetic energies due to thermal and chemical non-equilibrium processes in the flow field. Instead, these non-equilibria affect turbulent boundary layers by changing the temperature without changing the main characteristics of near-wall turbulence structures. This change in the temperature induces the changes in the density and viscosity and the mean flow fields are then adjusted to satisfy the conservation laws. The perturbation fields are modified according to

  8. Non-Equilibrium Modeling of Arc Plasma Torches

    CERN Document Server

    Trelles, J P; Heberlein, J V R

    2013-01-01

    A two-temperature thermal non-equilibrium model is developed and applied to the three-dimensional and time-dependent simulation of the flow inside a DC arc plasma torch. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The fluid and electromagnetic equations in both models are approximated numerically in a fully-coupled approach by a variational multi-scale finite element method. In contrast to the equilibrium model, the non-equilibrium model did not need a separate reattachment model to produce an arc reattachment process and to limit the magnitude of the total voltage drop and arc length. The non-equilibrium results show large non-equilibrium regions in the plasma - cold-flow interaction region and close to the anode surface. Marked differences in the arc dynamics, especially in the arc reattachment process, and in the magnitudes of the total voltage drop and outlet temperatures and velocities between the models are observed. The non-equilibr...

  9. Topologically protected modes in non-equilibrium stochastic systems

    CERN Document Server

    Murugan, Arvind

    2016-01-01

    Non-equilibrium driving of biochemical reactions is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enyzmatic specificity and maintenance of coherent oscillations. Non-equilibrium biochemical reactions can be modeled as a master equation whose rate constants break detailed balance. We find that non equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. We show that when a biochemical network can be decomposed into two ordered bulks that meet at a possibly disordered interferace, the ordered bulks can be each associated with a topologically invariant winding number. If the winding numbers are mismatched, we are guaranteed that the steady state distribution is localized at the interface between the bulks, even in the presence of strong disorder in reaction rates. We argue that our work provides a framew...

  10. Non-equilibrium fluctuation-dissipation relation from holography

    CERN Document Server

    Mukhopadhyay, Ayan

    2012-01-01

    We derive non-equilibrium fluctuation-dissipation relation for bosonic correlation functions from holography in the classical gravity approximation. We also show this holds universally in any classical gravity theory which has a stable thermal background as a solution. Therefore, this can provide a strong experimental test for the applicability of the holographic framework. The fluctuation-dissipation relation gives a proportionality factor between the expectation value of the commutator i.e. the spectral function, and the expectation value of the anti-commutator, i.e. the Keldysh propagator, in an arbitrary non-equilibrium state. We show that, in the limit in which the external sources vanish and within the range of validity of perturbative hydrodynamic (derivative) and non-hydrodynamic (amplitude) expansions, the holographic non-equilibrium fluctuation-dissipation relation is fixed completely by the temperature of the final equilibrium. We argue this is consistent with locality and causality of the dual fie...

  11. Landscape and flux theory of non-equilibrium open economy

    Science.gov (United States)

    Zhang, Kun; Wang, Jin

    2017-09-01

    The economy is open and never in true equilibrium due to the exchanges with outside. However, most of the quantitative studies have been focused on the equilibrium economy. Despite of the recent efforts, it is still challenging to formulate a quantitative theory for uncovering the principles of non-equilibrium open economy. In this study, we developed a landscape and flux theory for non-equilibrium economy. We quantified the states of economy and identify the multi-stable states as the basins of attractions on the underlying landscape. We found the global driving force of the non-equilibrium economy is determined by both the underlying landscape gradient and the curl probability flux measuring the degree of non-equilibriumness through the detailed balance breaking. The non-equilibrium thermodynamics, the global stability, the optimal path and speed of the non-equilibrium economy can be formulated and quantified. In the conventional economy, the supply and demand usually has only one equilibrium. By considering nonlinear supply-demand dynamics, we found that both bi-stable states and limit cycle oscillations can emerge. By shifting the slope of demand curve, we can see how the bi-stability transforms to the limit cycle dynamics and vice versa. By parallel shifting the demand curve, we can also see how the monopoly, the competition, and the bistable monopoly and competition states emerge and transform to one other. We can also see how the mono-stable monopoly, the limit cycle and the mono-stable competition states emerge and transform to one another.

  12. 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.

  13. 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.

  14. A Characterization of Conserved Quantities in Non-Equilibrium Thermodynamics

    Directory of Open Access Journals (Sweden)

    Ignacio Romero

    2013-12-01

    Full Text Available The well-known Noether theorem in Lagrangian and Hamiltonian mechanics associates symmetries in the evolution equations of a mechanical system with conserved quantities. In this work, we extend this classical idea to problems of non-equilibrium thermodynamics formulated within the GENERIC (General Equations for Non-Equilibrium Reversible-Irreversible Coupling framework. The geometric meaning of symmetry is reviewed in this formal setting and then utilized to identify possible conserved quantities and the conditions that guarantee their strict conservation. Examples are provided that demonstrate the validity of the proposed definition in the context of finite and infinite dimensional thermoelastic problems.

  15. Gravitational Energy, Local Holography and Non-equilibrium Thermodynamics

    CERN Document Server

    Freidel, Laurent

    2013-01-01

    We study the properties of gravitational system in finite regions bounded by gravitational screens. We present the detail construction of the total energy of such regions and of the energy and momentum balance equations due to the flow of matter and gravitational radiation through the screen. We establish that the gravitational screen possesses analogs of surface tension, internal energy and viscous stress tensor, while the conservations are analogs of non-equilibrium balance equations for a viscous system. This gives a precise correspondence between gravity in finite regions and non-equilibrium thermodynamics.

  16. Casimir-Polder Potential in Thermal Non-Equilibrium

    CERN Document Server

    Ellingsen, Simen Å; Buhmann, Stefan Y; Scheel, Stefan

    2009-01-01

    Different non-equilibrium situations have recently been considered when studying the thermal Casimir--Polder interaction with a body. We show that the Keldysh Green function method provides a very general common framework for such studies where non-equilibrium of either the atom or the body with the environment can be accounted for. We apply the results to the case of ground state polar molecules out of equilibrium with their environment, observing several striking effects. We consider thermal Casimir--Polder potentials in planar configurations, and new results for a molecule in a cylindrical cavity are reported, showing similar characteristic behaviour as found in planar geometry.

  17. Quantum Hypothesis Testing and Non-Equilibrium Statistical Mechanics

    CERN Document Server

    Jaksic, V; Pillet, C -A; Seiringer, R

    2011-01-01

    We extend the mathematical theory of quantum hypothesis testing to the general $W^*$-algebraic setting and explore its relation with recent developments in non-equilibrium quantum statistical mechanics. In particular, we relate the large deviation principle for the full counting statistics of entropy flow to quantum hypothesis testing of the arrow of time.

  18. Spacecraft Sterilization Using Non-Equilibrium Atmospheric Pressure Plasma

    Science.gov (United States)

    Cooper, Moogega; Vaze, Nachiket; Anderson, Shawn; Fridman, Gregory; Vasilets, Victor N.; Gutsol, Alexander; Tsapin, Alexander; Fridman, Alexander

    2007-01-01

    As a solution to chemically and thermally destructive sterilization methods currently used for spacecraft, non-equilibrium atmospheric pressure plasmas are used to treat surfaces inoculated with Bacillus subtilis and Deinococcus radiodurans. Evidence of significant morphological changes and reduction in viability due to plasma exposure will be presented, including a 4-log reduction of B. subtilis after 2 minutes of dielectric barrier discharge treatment.

  19. PREFACE: International Symposium on Non-Equilibrium Soft Matter 2010 International Symposium on Non-Equilibrium Soft Matter 2010

    Science.gov (United States)

    Kawakatsu, T.; Matsuyama, A.; Ohta, T.; Tanaka, H.; Tanaka, S.

    2011-07-01

    , Culture, Sports, Science and Technology (MEXT) of Japan. We thank those who contributed to this symposium as well as members of the 'Soft Matter Physics' project for their valuable discussions and collaborations. Non-equilibrium soft matter contents Insights on raft behavior from minimal phenomenological models G Garbès Putzel and M Schick Dynamical membrane curvature instability controlled by intermonolayer friction Anne-Florence Bitbol, Jean-Baptiste Fournier, Miglena I Angelova and Nicolas Puff Numerical investigations of the dynamics of two-component vesicles Takashi Taniguchi, Miho Yanagisawa and Masayuki Imai Asymmetric distribution of cone-shaped lipids in a highly curved bilayer revealed by a small angle neutron scattering technique Y Sakuma, N Urakami, T Taniguchi and M Imai Hydration, phase separation and nonlinear rheology of temperature-sensitive water-soluble polymers Fumihiko Tanaka, Tsuyoshi Koga, Isamu Kaneda and Françoise M Winnik Morphology and rheology of an immiscible polymer blend subjected to a step electric field under shear flow H Orihara, Y Nishimoto, K Aida, Y H Na, T Nagaya and S Ujiie Surfactant-induced friction reduction for hydrogels in the boundary lubrication regime Kosuke Kamada, Hidemitsu Furukawa, Takayuki Kurokawa, Tomohiro Tada, Taiki Tominaga, Yukihiro Nakano and Jian Ping Gong Fabrication and structural analysis of polyrotaxane fibers and films Yasuhiro Sakai, Kentaro Ueda, Naoya Katsuyama, Koji Shimizu, Shunya Sato, Jun Kuroiwa, Jun Araki, Akira Teramoto, Koji Abe, Hideaki Yokoyama and Kohzo Ito Micellization kinetics of diblock copolymers in a homopolymer matrix: a self-consistent field study Raghuram Thiagarajan and David C Morse Hierarchical self-assembly of two-length-scale multiblock copolymers Gerrit ten Brinke, Katja Loos, Ivana Vukovic and Gerrit Gobius du Sart Kaleidoscopic morphologies from ABC star-shaped terpolymers Yushu Matsushita, Kenichi Hayashida, Tomonari Dotera and Atsushi Takano Direct and inverted nematic

  20. Non-equilibrium Phase Transitions: Activated Random Walks at Criticality

    Science.gov (United States)

    Cabezas, M.; Rolla, L. T.; Sidoravicius, V.

    2014-06-01

    In this paper we present rigorous results on the critical behavior of the Activated Random Walk model. We conjecture that on a general class of graphs, including , and under general initial conditions, the system at the critical point does not reach an absorbing state. We prove this for the case where the sleep rate is infinite. Moreover, for the one-dimensional asymmetric system, we identify the scaling limit of the flow through the origin at criticality. The case remains largely open, with the exception of the one-dimensional totally-asymmetric case, for which it is known that there is no fixation at criticality.

  1. Theoretical progress in non-equilibrium grain-boundary segregation (Ⅰ): Thermally induced non-equilibrium grain-boundary segregation and intergranular embrittlement

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The research progress of non-equilibrium grain-boundary segregation theories in the last 20 years is reviewed. Based on studies by the present authors, the critical time of non-equilibrium segregation and its impact on the development of non-equilibrium segregation theories are described. Quasi- thermo- dynamics and kinetics for thermal non-equilibrium grain boundary segregation are detailed along with a non-equilibrium grain boundary cosegregation model. The experimental validation of the theories and their application to the reversible temper embrittlement of steels and the intermediate temperature brittleness in metals and alloys are also addressed.

  2. Theoretical prosress in non-equilibrium 8rain-boundary segregation (I): Thermally induced non-equilibrium grain-boundary segregation and intersranular embrittlement

    Institute of Scientific and Technical Information of China (English)

    XU TingDong; WANG Kai; SONG ShenHua

    2009-01-01

    The research progress of non-equilibrium grain-boundary segregaUon theories in the last 20 years is reviewed. Based on studies by the present authors, the critical time of non-equilibrium segregation and its impact on the development of non-equilibrium segregation theories are described. Quasi-thermodynamics and kinetics for thermal non-equilibrium grain boundary segregation are detailed along with a non-equilibrium grain boundary cosegregation model. The experimental validation of the theories and their application to the reversible temper embrittlement of steels and the intermediate temperature brittleness in metals and alloys are also addressed.

  3. 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...

  4. Towards Non-Equilibrium Dynamics with Trapped Ions

    Science.gov (United States)

    Silbert, Ariel; Jubin, Sierra; Doret, Charlie

    2016-05-01

    Atomic systems are superbly suited to the study of non-equilibrium dynamics. These systems' exquisite isolation from environmental perturbations leads to long relaxation times that enable exploration of far-from-equilibrium phenomena. One example of particular relevance to experiments in trapped ion quantum information processing, metrology, and precision spectroscopy is the approach to thermal equilibrium of sympathetically cooled linear ion chains. Suitable manipulation of experimental parameters permits exploration of the quantum-to-classical crossover between ballistic transport and diffusive, Fourier's Law conduction, a topic of interest not only to the trapped ion community but also for the development of microelectronic devices and other nanoscale structures. We present progress towards trapping chains of multiple co-trapped calcium isotopes geared towards measuring thermal equilibration and discuss plans for future experiments in non-equilibrium statistical mechanics. This work is supported by Cottrell College Science Award from the Research Corporation for Science Advancement and by Williams College.

  5. A Framework for Non-Equilibrium Statistical Ensemble Theory

    Institute of Scientific and Technical Information of China (English)

    BI Qiao; HE Zu-Tan; LIU Jie

    2011-01-01

    Since Gibbs synthesized a general equilibrium statistical ensemble theory, many theorists have attempted to generalized the Gibbsian theory to non-equilibrium phenomena domain, however the status of the theory of nonequilibrium phenomena can not be said as firm as well established as the Gibbsian ensemble theory. In this work, we present a framework for the non-equilibrium statistical ensemble formalism based on a subdynamic kinetic equation (SKE) rooted from the Brussels-Austin school and followed by some up-to-date works. The constructed key is to use a similarity transformation between Gibbsian ensembles formalism based on Liouville equation and the subdynamic ensemble formalism based on the SKE. Using this formalism, we study the spin-Boson system, as cases of weak coupling or strongly coupling, and obtain the reduced density operators for the Canonical ensembles easily.

  6. A non-equilibrium extension of quantum gravity

    CERN Document Server

    Mandrin, Pierre A

    2016-01-01

    A variety of quantum gravity models (including spin foams) can be described using a path integral formulation. A path integral has a well-known statistical mechanical interpretation in connection with a canonical ensemble. In this sense, a path integral describes the thermodynamic equilibrium of a local system in a thermal bath. This interpretation is in contrast to solutions of Einstein's Equations which depart from local thermodynamical equilibrium (one example is shown explicitly). For this reason, we examine an extension of the path integral model to a (locally) non-equilibrium description. As a non-equilibrium description, we propose to use a global microcanonical ensemble with constraints. The constraints reduce the set of admissible microscopic states to be consistent with the macroscopic geometry. We also analyse the relation between the microcanonical description and a statistical approach not based on dynamical assumptions which has been proposed recently. This analysis is of interest for the test o...

  7. Atomistic Simulation of Non-Equilibrium Phenomena in Hypersonic Flows

    Science.gov (United States)

    Norman, Paul Erik

    The goal of this work is to model the heterogeneous recombination of atomic oxygen on silica surfaces, which is of interest for accurately predicting the heating on vehicles traveling at hypersonic speeds. This is accomplished by creating a finite rate catalytic model, which describes recombination with a set of elementary gas-surface reactions. Fundamental to a description of surface catalytic reactions are the in situ chemical structures on the surface where recombination can occur. Using molecular dynamics simulations with the Reax GSISiO potential, we find that the chemical sites active in direct gas-phase reactions on silica surfaces consist of a small number of specific structures (or defects). The existence of these defects on real silica surfaces is supported by experimental results and the structure and energetics of these defects have been verified with quantum chemical calculations. The reactions in the finite rate catalytic model are based on the interaction of molecular and atomic oxygen with these defects. Trajectory calculations are used to find the parameters in the forward rate equations, while a combination of detailed balance and transition state theory are used to find the parameters in the reverse rate equations. The rate model predicts that the oxygen recombination coefficient is relatively constant at T (300-1000 K), in agreement with experimental results. At T > 1000 K the rate model predicts a drop off in the oxygen recombination coefficient, in disagreement with experimental results, which predict that the oxygen recombination coefficient increases with temperature. A discussion of the possible reasons for this disagreement, including non-adiabatic collision dynamics, variable surface site concentrations, and additional recombination mechanisms is presented. This thesis also describes atomistic simulations with Classical Trajectory Calculation Direction Simulation Monte Carlo (CTC-DSMC), a particle based method for modeling non-equilibrium

  8. Non-equilibrium transport through a disordered molecular nanowire

    OpenAIRE

    2016-01-01

    We investigate the non-equilibrium transport properties of a disordered molecular nanowire. The nanowire is regarded as a quasi-one-dimensional organic crystal composed of self-assembled molecules. One orbital and a single random energy are assigned to each molecule while the intermolecular coupling does not fluctuate. Consequently, electronic states are expected to be spatially localized. We consider the regime of strong localization, namely, the localization length is smaller than the lengt...

  9. Non-Markovian Persistence at the PC point of a 1d non-equilibrium kinetic Ising model

    CERN Document Server

    Menyhard, N; Menyhard, Nora; Odor, Geza

    1997-01-01

    One-dimensional non-equilibrium kinetic Ising models evolving under the competing effect of spin flips at zero temperature and nearest neighbour spin exchanges exhibiting a parity-conserving (PC) phase transition on the level of kinks are investigated here numerically from the point of view of the underlying spin system. The dynamical persistency exponent $\\Theta$ and the exponent $lambda$ characterising the two-time autocorrelation function of the total magnetization under non-equilibrium conditions are reported. It is found that the PC transition has strong effect: the process becomes non-Markovian and the above exponents exhibit drastic changes as compared to the Glauber-Ising case.

  10. Separation of cobalt and nickel by non-equilibrium solvent extraction

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The separation of cobalt and nickel in the ammoniacal sulfate solution by non-equilibrium solvent extraction with a phosphate (P303) as extractant was studied. In the experiment, the effects of equilibrium pH value in aqueous phase, contact time of the two phases, the air-blowing time for feed liquor in the open beaker on percentage extraction of cobalt and nickel and percentage reextraction of nickel from the loaded organic phase with dilute H2SO4. etc were studied. The results showed that: Co(Ⅱ) can be oxidized to Co(Ⅲ)-ammino-complex by adding (NH4)2S2O8 or blowing air to the aqueous phase, and Co(Ⅲ)-ammino-complex is a kind of kinetically inert complex. Its extractive speed is very slow, while the nickel′s is much faster than that of cobalt. By controlling the contact time of the two phases, nickel can be separated from cobalt by non-equilibrium solvent extraction. Then nickel was reextracted from the loaded organic phase with dilute H2SO4.

  11. Numerical analysis of a non equilibrium two-component two-compressible flow in porous media

    KAUST Repository

    Saad, Bilal Mohammed

    2013-09-01

    We propose and analyze a finite volume scheme to simulate a non equilibrium two components (water and hydrogen) two phase flow (liquid and gas) model. In this model, the assumption of local mass non equilibrium is ensured and thus the velocity of the mass exchange between dissolved hydrogen and hydrogen in the gas phase is supposed finite. The proposed finite volume scheme is fully implicit in time together with a phase-by-phase upwind approach in space and it is discretize the equations in their general form with gravity and capillary terms We show that the proposed scheme satisfies the maximum principle for the saturation and the concentration of the dissolved hydrogen. We establish stability results on the velocity of each phase and on the discrete gradient of the concentration. We show the convergence of a subsequence to a weak solution of the continuous equations as the size of the discretization tends to zero. At our knowledge, this is the first convergence result of finite volume scheme in the case of two component two phase compressible flow in several space dimensions.

  12. 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.

  13. Microscopic versus macroscopic approaches to non-equilibrium systems

    OpenAIRE

    Derrida, Bernard

    2010-01-01

    The one dimensional symmetric simple exclusion process (SSEP) is one of the very few exactly soluble models of non-equilibrium statistical physics. It describes a system of particles which diffuse with hard core repulsion on a one dimensional lattice in contact with two reservoirs of particles at unequal densities. The goal of this note is to review the two main approaches which lead to the exact expression of the large deviation functional of the density of the SSEP in its steady state: a mi...

  14. Non-equilibrium Kondo effect in double quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Kiselev, M.N. E-mail: kiselev@physik.uni-wuerzburg.de; Kikoin, K.A.; Molenkamp, L.W

    2004-05-01

    We investigate theoretically a non-equilibrium transport through a double quantum dot (DQD) in a parallel geometry. It is shown that the resonance Kondo tunneling through a parallel DQD with even occupation and singlet ground state may arise at a strong bias, which compensates the energy of singlet/triplet excitation. Using the renormalization group technique we derive scaling equations and calculate the differential conductance as a function of an auxiliary DC-bias for parallel DQD being in a regime described by SO(4) symmetry.

  15. The non-equilibrium nature of culinary evolution

    Science.gov (United States)

    Kinouchi, Osame; Diez-Garcia, Rosa W.; Holanda, Adriano J.; Zambianchi, Pedro; Roque, Antonio C.

    2008-07-01

    Food is an essential part of civilization, with a scope that ranges from the biological to the economic and cultural levels. Here, we study the statistics of ingredients and recipes taken from Brazilian, British, French and Medieval cookery books. We find universal distributions with scale invariant behaviour. We propose a copy-mutate process to model culinary evolution that fits our empirical data very well. We find a cultural 'founder effect' produced by the non-equilibrium dynamics of the model. Both the invariant and idiosyncratic aspects of culture are accounted for by our model, which may have applications in other kinds of evolutionary processes.

  16. 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.

  17. Non-Equilibrium Gibbs' Criterion for Completely Wetting Volatile Liquids

    CERN Document Server

    Tsoumpas, Yannis; Galvagno, Mariano; Rednikov, Alexey; Ottevaere, Heidi; Thiele, Uwe; Colinet, Pierre

    2014-01-01

    During the spreading of a liquid over a solid substrate, the contact line can stay pinned at sharp edges until the contact angle exceeds a critical value. At (or sufficiently near) equilibrium, this is known as Gibbs' criterion. Here, we show both experimentally and theoretically that for completely wetting volatile liquids there also exists a dynamically-produced critical angle for depinning, which increases with the evaporation rate. This suggests that one may introduce a simple modification of the Gibbs' criterion for (de)pinning, that accounts for the non-equilibrium effect of evaporation.

  18. Fluctuations and large deviations in non-equilibrium systems

    Indian Academy of Sciences (India)

    B Derrida

    2005-05-01

    For systems in contact with two reservoirs at different densities or with two thermostats at different temperatures, the large deviation function of the density gives a possible way of extending the notion of free energy to non-equilibrium systems. This large deviation function of the density can be calculated explicitly for exclusion models in one dimension with open boundary conditions. For these models, one can also obtain the distribution of the current of particles flowing through the system and the results lead to a simple conjecture for the large deviation function of the current of more general diffusive systems.

  19. Non-equilibrium dynamics of isolated quantum systems

    Directory of Open Access Journals (Sweden)

    Calabrese Pasquale

    2015-01-01

    Full Text Available The non-equilibrium dynamics of isolated quantum systems represent a theoretical and experimental challenge raising many fundamental questions with applications to different fields of modern physics. In these proceedings, we briefly review some of the recent findings on the subject, with particular emphasis to the existence of stationary expectation values of local observables and to their statistical mechanics description. It turns out that the appropriate statistical ensemble describing these asymptotic values depends on whether the Hamiltonian governing the time evolution is integrable or not.

  20. Entropy Production: Its Role in Non-Equilibrium Thermodynamics

    Directory of Open Access Journals (Sweden)

    Rosa Maria Velasco

    2011-01-01

    Full Text Available It is unquestionable that the concept of entropy has played an essential role both in the physical and biological sciences. However, the entropy production, crucial to the second law, has also other features not clearly conceived. We all know that the main difficulty is concerned with its quantification in non-equilibrium processes and consequently its value for some specific cases is limited. In this work we will review the ideas behind the entropy production concept and we will give some insights about its relevance.

  1. Ethanol reforming in non-equilibrium plasma of glow discharge

    CERN Document Server

    Levko, D

    2012-01-01

    The results of a detailed kinetic study of the main plasma chemical processes in non-equilibrium ethanol/argon plasma are presented. It is shown that at the beginning of the discharge the molecular hydrogen is mainly generated in the reaction of ethanol H-abstraction. Later hydrogen is formed from active H, CH2OH and CH3CHOH and formaldehyde. Comparison with experimental data has shown that the used kinetic mechanism predicts well the concentrations of main species at the reactor outlet.

  2. The effects of metallicity, UV radiation and non-equilibrium chemistry in high-resolution simulations of galaxies

    Science.gov (United States)

    Richings, A. J.; Schaye, Joop

    2016-05-01

    We present a series of hydrodynamic simulations of isolated galaxies with stellar mass of 109 M⊙. The models use a resolution of 750 M⊙ per particle and include a treatment for the full non-equilibrium chemical evolution of ions and molecules (157 species in total), along with gas cooling rates computed self-consistently using the non-equilibrium abundances. We compare these to simulations evolved using cooling rates calculated assuming chemical (including ionization) equilibrium, and we consider a wide range of metallicities and UV radiation fields, including a local prescription for self-shielding by gas and dust. We find higher star formation rates and stronger outflows at higher metallicity and for weaker radiation fields, as gas can more easily cool to a cold (few hundred Kelvin) star-forming phase under such conditions. Contrary to variations in the metallicity and the radiation field, non-equilibrium chemistry generally has no strong effect on the total star formation rates or outflow properties. However, it is important for modelling molecular outflows. For example, the mass of H2 outflowing with velocities {>}50 {km} {s}^{-1} is enhanced by a factor ˜20 in non-equilibrium. We also compute the observable line emission from C II and CO. Both are stronger at higher metallicity, while C II and CO emission are higher for stronger and weaker radiation fields, respectively. We find that C II is generally unaffected by non-equilibrium chemistry. However, emission from CO varies by a factor of ˜2-4. This has implications for the mean XCO conversion factor between CO emission and H2 column density, which we find is lowered by up to a factor ˜2.3 in non-equilibrium, and for the fraction of CO-dark molecular gas.

  3. Directional solidification of binary melts with a non-equilibrium mushy layer

    Energy Technology Data Exchange (ETDEWEB)

    Aseev, D.L.; Alexandrov, D.V. [Urals State University, Department of Mathematical Physics, Lenin Avenue 51, Ekaterinburg 620083 (Russian Federation)

    2006-12-15

    When the melt or solution solidifies a constitutionally supercooled mushy layer is frequently formed ahead of the phase transition boundary. This leads to nucleation and growth mechanisms of newly born solid particles within a mush. The latter is responsible for the structures and properties appearing in the crystal. The process of solidification with a supercooled mushy layer is analytically described on the basis of two joint theories of directional and bulk crystallization. Such characteristics as the constitutional supercooling, the solid fraction and the radial density distribution function of solid particles in a mushy layer are found. The complex structure of the non-equilibrium mushy layer is completely recognized. (author)

  4. 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...

  5. Application of non-equilibrium plasmas in medicine

    Directory of Open Access Journals (Sweden)

    Mojsilović S.

    2012-01-01

    Full Text Available We review the potential of plasma medical applications, the connections to nanotechnologies and the results obtained by our group. A special issue in plasma medicine is the development of the plasma sources that would achieve non-equilibrium at atmospheric pressure in atmospheric gas mixture with no or only marginal heating of the gas, and with desired properties and mechanisms that may be controlled. Our studies have shown that control of radicals or chemically active products of the discharge such as ROS (reactive oxygen species and/or NO may be used to control the growth of the seeds. At the same time specially designed plasma needle and other sources were shown to be efficient to sterilize not only colonies of bacteria but also planctonic samples (microorganisms protected by water or bio films. Finally we have shown that plasma may induce differentiation of stem cells. Non-equilibrium plasmas may be used in detection of different specific markers in medicine. For example proton transfer mass spectroscopy may be employed in detection of volatile organic compounds without their dissociation and thus as a technique for instantaneous measurement of the presence of markers for numerous diseases. [Projekat Ministarstva nauke Republike Srbije, br. ON171037 i br. III41011

  6. Mesoscopic non-equilibrium thermodynamic analysis of molecular motors.

    Science.gov (United States)

    Kjelstrup, S; Rubi, J M; Pagonabarraga, I; Bedeaux, D

    2013-11-28

    We show that the kinetics of a molecular motor fueled by ATP and operating between a deactivated and an activated state can be derived from the principles of non-equilibrium thermodynamics applied to the mesoscopic domain. The activation by ATP, the possible slip of the motor, as well as the forward stepping carrying a load are viewed as slow diffusion along a reaction coordinate. Local equilibrium is assumed in the reaction coordinate spaces, making it possible to derive the non-equilibrium thermodynamic description. Using this scheme, we find expressions for the velocity of the motor, in terms of the driving force along the spacial coordinate, and for the chemical reaction that brings about activation, in terms of the chemical potentials of the reactants and products which maintain the cycle. The second law efficiency is defined, and the velocity corresponding to maximum power is obtained for myosin movement on actin. Experimental results fitting with the description are reviewed, giving a maximum efficiency of 0.45 at a myosin headgroup velocity of 5 × 10(-7) m s(-1). The formalism allows the introduction and test of meso-level models, which may be needed to explain experiments.

  7. Non-equilibrium evolution of a "Tsunami" Dynamical Symmetry Breaking

    CERN Document Server

    Boyanovsky, D; Holman, R; Kumar, S P; Pisarski, R D; Boyanovsky, Daniel; Vega, Hector J. de; Holman, Richard; Pisarski, Robert D.

    1998-01-01

    We propose to study the non-equilibrium features of heavy-ion collisions by following the evolution of an initial state with a large number of quanta with a distribution around a momentum |\\vec k_0| corresponding to a thin spherical shell in momentum space, a `tsunami'. An O(N); ({\\vec \\Phi}^2)^2 model field theory in the large N limit is used as a framework to study the non-perturbative aspects of the non-equilibrium dynamics including a resummation of the effects of the medium (the initial particle distribution). In a theory where the symmetry is spontaneously broken in the absence of the medium, when the initial number of particles per correlation volume is chosen to be larger than a critical value the medium effects can restore the symmetry of the initial state. We show that if one begins with such a symmetry-restored, non-thermal, initial state, non-perturbative effects automatically induce spinodal instabilities leading to a dynamical breaking of the symmetry. As a result there is explosive particle pro...

  8. Non-equilibrium model for catalytic distillation process

    Institute of Scientific and Technical Information of China (English)

    Feng WANG; Ning ZHAO; Junping LI; Fukui XIAO; Wei WEI; Yuhan SUN

    2008-01-01

    A new improved tri-diagonal method was developed for the non-equilibrium stage model of the catalytic distillation by coupling consumptive reaction coefficient. The reactions in the distillation column were divided into generative reaction and consumptive reac-tion. The non-equilibrium stage model was introduced for the catalytic distillation process of the dimethyl car-bonate (DMC) synthesis by urea methanolysis over solid based catalyst, and the improved tri-diagonal method was used to solve the model equations. Comparison of pre-dicted results with experiment data shows that the mean relative error of the yield of DMC was 3.78% under dif-ferent conditions such as different operating pressures and reaction temperatures. The improved tri-diagonal matrix method could avoid the negative values of the liquid com-positions during the calculations and restrain the fluc-tuation of compositions by slowing down the variations of the values in the iteration. The modeling results show that the improved tri-diagonal method was appropriate for system containing a wide range of boiling point com-ponents and a different rate of reactions.

  9. Debye screening under non-equilibrium plasma conditions

    Science.gov (United States)

    Fahr, Hans J.; Heyl, M.

    2016-05-01

    As has been revealed in a number of more recent astrophysical papers, in most of the tenuous space plasmas Maxwellian distribution functions cannot be expected for ions or electrons because of the lack of efficient relaxation processes. Many of the classical characteristics of plasmas, such as plasma frequency or Debye length, are calculated on the basis of the assumption, however, that Maxwellians prevail, which under most of the relevant astrophysical plasma conditions is not the case. We here therefore consider this specific problem of Debye shieldings of single charges in a plasma for the case of prevailing non-equilibrium distribution functions for ions and electrons. As typical non-equilibrium functions, so-called Kappa functions were considered with clear preference, and we therefore study here the Debye shielding in a plasma with Kappa-distributed electrons and ions. We show that the so-called Debye shielding increases with increasing extent of the high-velocity tail of the electron distribution function, or in other words, with lower Kappa index of the underlying Kappa function. In our calculations we demonstrate that the Debye lengths become enlarged by about a factor of 10 with respect to its classically expexted value if highly suprathermal electron distributions prevail with Kappa indices close to 1.5.

  10. Scalar Fluctuations from Extended Non-equilibrium Thermodynamic States

    Science.gov (United States)

    Nettleton, R. E.

    1985-10-01

    In the framework of extended non-equilibrium thermodynamics, the local non-equilibrium state of a liquid is described by the density, temperature, and a structural variable, ζ, and its rate-of-change. ζ is the ensemble average of a function A (Q) of the configuration co-ordinates, and it is assumed to relax to local equilibrium in a time short compared to the time for diffusion of an appreciable number of particles into the system. By a projection operator technique of Grabert, an equation is derived from the Liouville equation for the distribution of fluctuations in TV, the particle number, and in A and Ȧ. An approximate solution is proposed which exhibits nonequilibrium corrections to the Einstein function in the form of a sum of thermodynamic forces. For a particular structural model, the corresponding non-Einstein contributions to correlation functions are estimated to be very small. For variables of the type considered here, the thermodynamic pressure is found to equal the pressure trace.

  11. Complementary relations in non-equilibrium stochastic processes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Eun-jin, E-mail: e.kim@sheffield.ac.uk; Nicholson, S.B.

    2015-08-28

    Highlights: • Novel complementary relations in non-equilibrium stochastic processes. • Dependence of statistical measures (entropy, information, and work) on variables, reference frames, and time. • Equilibrium maximises simultaneous information while minimising simultaneous disorder/uncertainty. • Difference between Eulerian and Lagrangian entropy and its related concepts. • Hamilton–Jacobi relation for forced-dissipative system. - Abstract: We present novel complementary relations in non-equilibrium stochastic processes. Specifically, by utilising path integral formulation, we derive statistical measures (entropy, information, and work) and investigate their dependence on variables (x, v), reference frames, and time. In particular, we show that the equilibrium state maximises the simultaneous information quantified by the product of the Fisher information based on x and v while minimising the simultaneous disorder/uncertainty quantified by the sum of the entropy based on x and v as well as by the product of the variances of the PDFs of x and v. We also elucidate the difference between Eulerian and Lagrangian entropy. Our theory naturally leads to Hamilton–Jacobi relation for forced-dissipative systems.

  12. Comparison between Two Local Thermal Non Equilibrium Criteria in Forced Convection through a Porous Channel

    Directory of Open Access Journals (Sweden)

    azzedine ABDEDOU

    2015-01-01

    Full Text Available Two criteria are used and compared to investigate the local thermal equilibrium assumption in a forced convection through a porous channel. The first criterion is based on the maximum local temperature difference between the solid and fluid phases, while the second is based on the average of the local differences between the temperature of the solid phase and the fluid phase. For this purpose, the momentum and energy equations based on the Darcy-Brinkman-Forchheimer and the local thermal non equilibrium models are solved numerically using the finite volume method. The analysis focused on searching thermophysical parameters ranges which validate local thermal equilibrium hypothesis. Thus, by using the two criteria, the obtained results mainly revealed that this local thermal equilibrium assumption is verified for low thermal conductivity ratio and Reynolds number values and for high interstitial Biot number and porosity, while it is unfavorably affected by the high values of Prandtl number. However, it is also found that the parameters ranges corresponding to the local equilibrium validity depends on the selected local thermal non equilibrium criterion.

  13. ThermoCalc Application for the Assessment of Binary Alloys Non-Equilibrium Solidification

    Directory of Open Access Journals (Sweden)

    Zyska A.

    2017-03-01

    Full Text Available The paper presents the possibility of application of the developed computer script which allows the assessment of non-equilibrium solidification of binary alloys in the ThermoCalc program. The script makes use of databases and calculation procedures of the POLY-3 module. A solidification model including diffusion in the solid state, developed by Wołczyński, is used to describe the non-equilibrium solidification. The model takes into account the influence of the degree of solute segregation on the solidification process by applying the so-called back-diffusion parameter. The core of the script is the iteration procedure with implemented model equation. The possibility of application of the presented calculation method is illustrated on the example of the Cr-30% Ni alloy. Computer simulations carried out with use of the developed script allow to determine the influence of the back-diffusion parameter on the course of solidification curves, solidus temperature, phase composition of the alloy and the fraction of each phase after the solidification completion, the profile of solute concentration in liquid during solidification process, the average solute concentration in solid phase at the eutectic temperature and many other quantities which are usually calculated in the ThermoCalc program.

  14. Non-equilibrium quantum plasmas in scalar QED photon production, magnetic and Debye masses and conductivity

    CERN Document Server

    Boyanovsky, D; Simionato, M

    2000-01-01

    We study the generation of a non-equilibrium plasma in scalar QED with N charged scalar fields through spinodal instabilities in the case of a super cooled second order phase transition and parametric amplification when the order parameter oscillates with large amplitude around the minimum of the potential.The focus is to study the non-equilibrium electromagnetic properties of the plasma, such as photon production, electric and magnetic screening and conductivity. A novel kinetic equation is introduced to compute photon production far away from equilibrium in the large N limit and lowest order in the electromagnetic coupling.During the early stages of the dynamics the photon density grows exponentially and asymptotically the amplitude and frequency distribution becomes \\sim alpha m^2/[lambda^2 ømega^3] with lambda the scalar self-coupling and m the scalar mass.In the case of a phase transition,electric and magnetic fields are correlated on distances xi(t) \\sim sqrt{t} during the early stages and the power sp...

  15. Non-equilibrium Steady-State Behavior in a Scale-Free Quantum Network

    Science.gov (United States)

    Zhao, Jianshi; Price, Craig; Liu, Qi; Gemelke, Nathan

    We describe the nonequilibrium dynamics of a cold atomic gas held in a spatially random optical potential and gravity, subject to a controlled amount of dissipation in the form of an extremely slow dark-state laser cooling process. Reaching local kinetic temperatures below the 100nK scale, such systems provide a novel context for observing the non-equilibrium steady-state (NESS) behavior of a disordered quantum system. For sufficiently deep potentials and strong dissipation, this system can be modeled by a self-organized version of directed percolation, and exhibits power-law decay of phase-space density with time due to the presence of absorbing clusters with a wide distribution of entropy and coupling rates. In the absence of dissipation, such a model cannot apply, and we observe the crossover to exponential loss of phase-space density. We provide measurements of the power-law decay constant by observing the non-equilibrium motion of atoms over a ten-minute period, consistent with γ = 0 . 31 +/- 0 . 04 , and extract scaling of the absorbed number with dissipation rate, showing another power-law behavior, with exponent 0 . 5 +/- 0 . 2 over two decades of optical excitation probability.

  16. Relativistic Hydrodynamics and Non-Equilibrium Steady States

    CERN Document Server

    Spillane, Michael

    2015-01-01

    We review recent interest in the relativistic Riemann problem as a method for generating a non-equilibrium steady state. In the version of the problem under con- sideration, the initial conditions consist of a planar interface between two halves of a system held at different temperatures in a hydrodynamic regime. The new double shock solutions are in contrast with older solutions that involve one shock and one rarefaction wave. We use numerical simulations to show that the older solutions are preferred. Briefly we discuss the effects of a conserved charge. Finally, we discuss deforming the relativistic equations with a nonlinear term and how that deformation affects the temperature and velocity in the region connecting the asymptotic fluids.

  17. A non-equilibrium formulation of food security resilience.

    Science.gov (United States)

    Smerlak, Matteo; Vaitla, Bapu

    2017-01-01

    Resilience, the ability to recover from adverse events, is of fundamental importance to food security. This is especially true in poor countries, where basic needs are frequently threatened by economic, environmental and health shocks. An empirically sound formalization of the concept of food security resilience, however, is lacking. Here, we introduce a general non-equilibrium framework for quantifying resilience based on the statistical notion of persistence. Our approach can be applied to any food security variable for which high-frequency time-series data are available. We illustrate our method with per capita kilocalorie availability for 161 countries between 1961 and 2011. We find that resilient countries are not necessarily those that are characterized by high levels or less volatile fluctuations of kilocalorie intake. Accordingly, food security policies and programmes will need to be tailored not only to welfare levels at any one time, but also to long-run welfare dynamics.

  18. Quantum gases finite temperature and non-equilibrium dynamics

    CERN Document Server

    Szymanska, Marzena; Davis, Matthew; Gardiner, Simon

    2013-01-01

    The 1995 observation of Bose-Einstein condensation in dilute atomic vapours spawned the field of ultracold, degenerate quantum gases. Unprecedented developments in experimental design and precision control have led to quantum gases becoming the preferred playground for designer quantum many-body systems. This self-contained volume provides a broad overview of the principal theoretical techniques applied to non-equilibrium and finite temperature quantum gases. Covering Bose-Einstein condensates, degenerate Fermi gases, and the more recently realised exciton-polariton condensates, it fills a gap by linking between different methods with origins in condensed matter physics, quantum field theory, quantum optics, atomic physics, and statistical mechanics. Thematically organised chapters on different methodologies, contributed by key researchers using a unified notation, provide the first integrated view of the relative merits of individual approaches, aided by pertinent introductory chapters and the guidance of ed...

  19. Non-equilibrium Thermodynamics of the Longitudinal Spin Seebeck Effect

    Science.gov (United States)

    Basso, Vittorio; Ferraro, Elena; Sola, Alessandro; Magni, Alessandro; Kuepferling, Michaela; Pasquale, Massimo

    In this paper we employ non equilibrium thermodynamics of fluxes and forces to describe magnetization and heat transport. By the theory we are able to identify the thermodynamic driving force of the magnetization current as the gradient of the effective field ▿H*. This definition permits to define the spin Seebeck coefficient ɛM which relates ▿H* and the temperature gradient ▿T. By applying the theory to the geometry of the longitudinal spin Seebeck effect we are able to obtain the optimal conditions for generating large magnetization currents. Furthermore, by using the results of recent experiments, we obtain an order of magnitude for the value of ɛM ∼ 10-2 TK-1 for yttrium iron garnet (Y3Fe5O12).

  20. Closure conditions for non-equilibrium multi-component models

    Science.gov (United States)

    Müller, S.; Hantke, M.; Richter, P.

    2016-07-01

    A class of non-equilibrium models for compressible multi-component fluids in multi-dimensions is investigated taking into account viscosity and heat conduction. These models are subject to the choice of interfacial pressures and interfacial velocity as well as relaxation terms for velocity, pressure, temperature and chemical potentials. Sufficient conditions are derived for these quantities that ensure meaningful physical properties such as a non-negative entropy production, thermodynamical stability, Galilean invariance and mathematical properties such as hyperbolicity, subcharacteristic property and existence of an entropy-entropy flux pair. For the relaxation of chemical potentials, a two-component and a three-component models for vapor-water and gas-water-vapor, respectively, are considered.

  1. Disclosing phonon squeezing by non-equilibrium optical experiments

    CERN Document Server

    Esposito, Martina; Zimmermann, Klaus; Giusti, Francesca; Randi, Francesco; Boschetto, Davide; Parmigiani, Fulvio; Floreanini, Roberto; Benatti, Fabio; Fausti, Daniele

    2015-01-01

    Fluctuations of the atomic positions are at the core of a large class of unusual material properties ranging from quantum para-electricity and charge density wave to, possibly, high temperature superconductivity. Their measurement in solids is subject of an intense scientific debate focused on the research of a methodology capable of establishing a direct link between the variance of the ionic displacements and experimentally measurable observables. Here we address this issue by means of non-equilibrium optical experiments performed in shot-noise limited regime. The variance of the time dependent atomic positions and momenta is directly mapped into the quantum fluctuations of the photon number of the scattered probing light. A fully quantum description of the non-linear interactions between photonic and phononic fields unveils evidences of squeezing of thermal phonons in $\\alpha-$quartz.

  2. Entanglement structure of non-equilibrium steady states

    CERN Document Server

    Mahajan, Raghu; Mumford, Sam; Tubman, Norm; Swingle, Brian

    2016-01-01

    We study the problem of calculating transport properties of interacting quantum systems, specifically electrical and thermal conductivities, by computing the non-equilibrium steady state (NESS) of the system biased by contacts. Our approach is based on the structure of entanglement in the NESS. With reasonable physical assumptions, we show that a NESS close to local equilibrium is lightly entangled and can be represented via a computationally efficient tensor network. We further argue that the NESS may be found by dynamically evolving the system within a manifold of appropriate low entanglement states. A physically realistic law of dynamical evolution is Markovian open system dynamics, or the Lindblad equation. We explore this approach in a well-studied free fermion model where comparisons with the literature are possible. We study both electrical and thermal currents with and without disorder, and compute entropic quantities such as mutual information and conditional mutual information. We conclude with a di...

  3. Non-equilibrium dilepton production in hadronic transport approaches

    CERN Document Server

    Staudenmaier, Jan; Petersen, Hannah

    2016-01-01

    In this work the non-equilibrium dilepton production from a hadronic transport approach (SMASH) is presented. The dilepton emission from the hadronic stage is of interest for current HADES results measured at GSI in the beam energy range from 1.25 - 3.5 GeV. Also at high collision energies (RHIC/LHC) the later dilute stages of the reaction are dominated by hadronic dynamics. The newly developed hadronic transport approach called SMASH (=Simulating Many Accelerated Strongly-interacting Hadrons) is introduced first. After explaining the basic interaction mechanisms, a comparison of elementary cross sections for pion production to experimental data is shown. The dilepton production within SMASH is explained in detail. The main contribution to the dilepton spectra in the low energy regime of GSI/FAIR/RHIC-BES originates from resonance decays. Results of the dilepton production with SMASH such as invariant mass spectra are shown.

  4. Non-equilibrium steady states in supramolecular polymerization

    Science.gov (United States)

    Sorrenti, Alessandro; Leira-Iglesias, Jorge; Sato, Akihiro; Hermans, Thomas M.

    2017-06-01

    Living systems use fuel-driven supramolecular polymers such as actin to control important cell functions. Fuel molecules like ATP are used to control when and where such polymers should assemble and disassemble. The cell supplies fresh ATP to the cytosol and removes waste products to sustain steady states. Artificial fuel-driven polymers have been developed recently, but keeping them in sustained non-equilibrium steady states (NESS) has proven challenging. Here we show a supramolecular polymer that can be kept in NESS, inside a membrane reactor where ATP is added and waste removed continuously. Assembly and disassembly of our polymer is regulated by phosphorylation and dephosphorylation, respectively. Waste products lead to inhibition, causing the reaction cycle to stop. Inside the membrane reactor, however, waste can be removed leading to long-lived NESS conditions. We anticipate that our approach to obtain NESS can be applied to other stimuli-responsive materials to achieve more life-like behaviour.

  5. Microscopic versus macroscopic approaches to non-equilibrium systems

    Science.gov (United States)

    Derrida, Bernard

    2011-01-01

    The one-dimensional symmetric simple exclusion process (SSEP) is one of the very few exactly soluble models of non-equilibrium statistical physics. It describes a system of particles which diffuse with hard core repulsion on a one-dimensional lattice in contact with two reservoirs of particles at unequal densities. The goal of this paper is to review the two main approaches which lead to the exact expression of the large deviation functional of the density of the SSEP in its steady state: a microscopic approach (based on the matrix product ansatz and an additivity property) and a macroscopic approach (based on the macroscopic fluctuation theory of Bertini, De Sole, Gabrielli, Jona-Lasinio and Landim).

  6. A probability theory for non-equilibrium gravitational systems

    CERN Document Server

    Peñarrubia, Jorge

    2015-01-01

    This paper uses dynamical invariants to describe the evolution of collisionless systems subject to time-dependent gravitational forces without resorting to maximum-entropy probabilities. We show that collisionless relaxation can be viewed as a special type of diffusion process in the integral-of-motion space. In time-varying potentials with a fixed spatial symmetry the diffusion coefficients are closely related to virial quantities, such as the specific moment of inertia, the virial factor and the mean kinetic and potential energy of microcanonical particle ensembles. The non-equilibrium distribution function (DF) is found by convolving the initial DF with the Green function that solves Einstein's equation for freely diffusing particles. Such a convolution also yields a natural solution to the Fokker-Planck equations in the energy space. Our mathematical formalism can be generalized to potentials with a time-varying symmetry, where diffusion extends over multiple dimensions of the integral-of-motion space. Th...

  7. Thermal Non-equilibrium Consistent with Widespread Cooling

    Science.gov (United States)

    Winebarger, A.; Lionello, R.; Mikic, Z.; Linker, J.; Mok, Y.

    2014-01-01

    Time correlation analysis has been used to show widespread cooling in the solar corona; this cooling has been interpreted as a result of impulsive (nanoflare) heating. In this work, we investigate wide-spread cooling using a 3D model for a solar active region which has been heated with highly stratified heating. This type of heating drives thermal non-equilibrium solutions, meaning that though the heating is effectively steady, the density and temperature in the solution are not. We simulate the expected observations in narrowband EUV images and apply the time correlation analysis. We find that the results of this analysis are qualitatively similar to the observed data. We discuss additional diagnostics that may be applied to differentiate between these two heating scenarios.

  8. Research situation andprogress of non-equilibrium plasma chemistry

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    @@ Generally, the non-equilibrium plasma is produced at low pressure by a glow discharge (1.33 Pa-l.33 kPa)including the radio frequency (13.56 MHz), microwave (2450 MHz), AC or DC high voltage discharges. As a method to directly apply energy to a reaction system,some successful applications have been obtained in the fields such as chemical synthesis and decomposition at plasma, sputtering and filming, deposition at the gas state,polymerization, modification on the material surface,etching, ashing at low temperature and so on. For example,in 1999, Zhang et al.[1] got a high conversion rate of 98.2% for CH4 synthesis by a glow discharge at the condition of 850℃ with the catalyst of Ni/α-Al2O3. In 1990,Matsumoto et al.[2

  9. Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Christoph Dellago

    2013-12-01

    Full Text Available As shown by Jarzynski, free energy differences between equilibrium states can be expressed in terms of the statistics of work carried out on a system during non-equilibrium transformations. This exact result, as well as the related Crooks fluctuation theorem, provide the basis for the computation of free energy differences from fast switching molecular dynamics simulations, in which an external parameter is changed at a finite rate, driving the system away from equilibrium. In this article, we first briefly review the Jarzynski identity and the Crooks fluctuation theorem and then survey various algorithms building on these relations. We pay particular attention to the statistical efficiency of these methods and discuss practical issues arising in their implementation and the analysis of the results.

  10. Turbulence as a problem in non-equilibrium statistical mechanics

    CERN Document Server

    Goldenfeld, Nigel

    2016-01-01

    The transitional and well-developed regimes of turbulent shear flows exhibit a variety of remarkable scaling laws that are only now beginning to be systematically studied and understood. In the first part of this article, we summarize recent progress in understanding the friction factor of turbulent flows in rough pipes and quasi-two-dimensional soap films, showing how the data obey a two-parameter scaling law known as roughness-induced criticality, and exhibit power-law scaling of friction factor with Reynolds number that depends on the precise form of the nature of the turbulent cascade. These results hint at a non-equilibrium fluctuation-dissipation relation that applies to turbulent flows. The second part of this article concerns the lifetime statistics in smooth pipes around the transition, showing how the remarkable super-exponential scaling with Reynolds number reflects deep connections between large deviation theory, extreme value statistics, directed percolation and the onset of coexistence in predat...

  11. Dynamical Systems Based Non Equilibrium Statistical Mechanics for Markov Chains

    Science.gov (United States)

    Prevost, Mireille

    We introduce an abstract framework concerning non-equilibrium statistical mechanics in the specific context of Markov chains. This framework encompasses both the Evans-Searles and the Gallavotti-Cohen fluctuation theorems. To support and expand on these concepts, several results are proven, among which a central limit theorem and a large deviation principle. The interest for Markov chains is twofold. First, they model a great variety of physical systems. Secondly, their simplicity allows for an easy introduction to an otherwise complicated field encompassing the statistical mechanics of Anosov and Axiom A diffeomorphisms. We give two examples relating the present framework to physical cases modelled by Markov chains. One of these concerns chemical reactions and links key concepts from the framework to their well known physical counterpart.

  12. Chemical Reactions Using a Non-Equilibrium Wigner Function Approach

    Directory of Open Access Journals (Sweden)

    Ramón F. Álvarez-Estrada

    2016-10-01

    Full Text Available A three-dimensional model of binary chemical reactions is studied. We consider an ab initio quantum two-particle system subjected to an attractive interaction potential and to a heat bath at thermal equilibrium at absolute temperature T > 0 . Under the sole action of the attraction potential, the two particles can either be bound or unbound to each other. While at T = 0 , there is no transition between both states, such a transition is possible when T > 0 (due to the heat bath and plays a key role as k B T approaches the magnitude of the attractive potential. We focus on a quantum regime, typical of chemical reactions, such that: (a the thermal wavelength is shorter than the range of the attractive potential (lower limit on T and (b ( 3 / 2 k B T does not exceed the magnitude of the attractive potential (upper limit on T. In this regime, we extend several methods previously applied to analyze the time duration of DNA thermal denaturation. The two-particle system is then described by a non-equilibrium Wigner function. Under Assumptions (a and (b, and for sufficiently long times, defined by a characteristic time scale D that is subsequently estimated, the general dissipationless non-equilibrium equation for the Wigner function is approximated by a Smoluchowski-like equation displaying dissipation and quantum effects. A comparison with the standard chemical kinetic equations is made. The time τ required for the two particles to transition from the bound state to unbound configurations is studied by means of the mean first passage time formalism. An approximate formula for τ, in terms of D and exhibiting the Arrhenius exponential factor, is obtained. Recombination processes are also briefly studied within our framework and compared with previous well-known methods.

  13. Non-equilibrium stochastic dynamics in continuum: The free case

    Directory of Open Access Journals (Sweden)

    Y.Kondratiev

    2008-12-01

    Full Text Available We study the problem of identification of a proper state-space for the stochastic dynamics of free particles in continuum, with their possible birth and death. In this dynamics, the motion of each separate particle is described by a fixed Markov process M on a Riemannian manifold X. The main problem arising here is a possible collapse of the system, in the sense that, though the initial configuration of particles is locally finite, there could exist a compact set in X such that, with probability one, infinitely many particles will arrive at this set at some time t>0. We assume that X has infinite volume and, for each α���1, we consider the set Θα of all infinite configurations in X for which the number of particles in a compact set is bounded by a constant times the α-th power of the volume of the set. We find quite general conditions on the process M which guarantee that the corresponding infinite particle process can start at each configuration from Θα, will never leave Θα, and has cadlag (or, even, continuous sample paths in the vague topology. We consider the following examples of applications of our results: Brownian motion on the configuration space, free Glauber dynamics on the configuration space (or a birth-and-death process in X, and free Kawasaki dynamics on the configuration space. We also show that if X=Rd, then for a wide class of starting distributions, the (non-equilibrium free Glauber dynamics is a scaling limit of (non-equilibrium free Kawasaki dynamics.

  14. Non-equilibrium Thermodynamics of Rayleigh-Taylor instability

    Science.gov (United States)

    Sengupta, Tapan K.; Sengupta, Aditi; Shruti, K. S.; Sengupta, Soumyo; Bhole, Ashish

    2016-10-01

    Rayleigh-Taylor instability (RTI) has been studied here as a non-equilibrium thermodynamics problem. Air masses with temperature difference of 70K, initially with heavier air resting on lighter air isolated by a partition, are allowed to mix by impulsively removing the partition. This results in interface instabilities, which are traced here by solving two dimensional (2D) compressible Navier-Stokes equation (NSE), without using Boussinesq approximation (BA henceforth). The non-periodic isolated system is studied by solving NSE by high accuracy, dispersion relation preserving (DRP) numerical methods described in Sengupta T.K.: High Accuracy Computing Method (Camb. Univ. Press, USA, 2013). The instability onset is due to misaligned pressure and density gradients and is evident via creation and evolution of spikes and bubbles (when lighter fluid penetrates heavier fluid and vice versa, associated with pressure waves). Assumptions inherent in compressible formulation are: (i) Stokes' hypothesis that uses zero bulk viscosity assumption and (ii) the equation of state for perfect gas which is a consequence of equilibrium thermodynamics. Present computations for a non-equilibrium thermodynamic process do not show monotonic rise of entropy with time, as one expects from equilibrium thermodynamics. This is investigated with respect to the thought-experiment. First, we replace Stokes' hypothesis, with another approach where non-zero bulk viscosity of air is taken from an experiment. Entropy of the isolated system is traced, with and without the use of Stokes' hypothesis. Without Stokes' hypothesis, one notes the rate of increase in entropy to be higher as compared to results with Stokes' hypothesis. We show this using the total entropy production for the thermodynamically isolated system. The entropy increase from the zero datum is due to mixing in general; punctuated by fluctuating entropy due to creation of compression and rarefaction fronts originating at the interface

  15. Non-equilibrium dynamics of glass-forming liquid mixtures.

    Science.gov (United States)

    Sánchez-Díaz, Luis Enrique; Lázaro-Lázaro, Edilio; Olais-Govea, José Manuel; Medina-Noyola, Magdaleno

    2014-06-21

    The non-equilibrium self-consistent generalized Langevin equation theory of irreversible processes in glass-forming liquids [P. Ramírez-González and M. Medina-Noyola, Phys. Rev. E 82, 061503 (2010)] is extended here to multi-component systems. The resulting theory describes the statistical properties of the instantaneous local particle concentration profiles nα(r, t) of species α in terms of the coupled time-evolution equations for the mean value n̄α(r, t) and for the covariance σ(αβ)(r, r'; t) ≡ δn(α)(r, t)δn(β)(r', t) of the fluctuations δn(α)(r, t) = n(α)(r, t) - n̄α(r, t). As in the monocomponent case, these two coarse-grained equations involve a local mobility function bα(r, t) for each species, written in terms of the memory function of the two-time correlation function C(αβ)(r, r'; t, t') ≡ δn(α)(r, t)δn(β)(r', t'). If the system is constrained to remain spatially uniform and subjected to a non-equilibrium preparation protocol described by a given temperature and composition change program T(t) and n̄α(r, t), these equations predict the irreversible structural relaxation of the partial static structure factors Sαβ(k; t) and of the (collective and self) intermediate scattering functions Fαβ(k, τ; t) and F(αβ)(S)(k, τ; t). We illustrate the applicability of the resulting theory with two examples involving simple model mixtures subjected to an instantaneous temperature quench: an electroneutral binary mixture of equally sized and oppositely charged hard-spheres, and a binary mixture of soft-spheres of moderate size-asymmetry.

  16. Modeling Inflation Using a Non-Equilibrium Equation of Exchange

    Science.gov (United States)

    Chamberlain, Robert G.

    2013-01-01

    Inflation is a change in the prices of goods that takes place without changes in the actual values of those goods. The Equation of Exchange, formulated clearly in a seminal paper by Irving Fisher in 1911, establishes an equilibrium relationship between the price index P (also known as "inflation"), the economy's aggregate output Q (also known as "the real gross domestic product"), the amount of money available for spending M (also known as "the money supply"), and the rate at which money is reused V (also known as "the velocity of circulation of money"). This paper offers first a qualitative discussion of what can cause these factors to change and how those causes might be controlled, then develops a quantitative model of inflation based on a non-equilibrium version of the Equation of Exchange. Causal relationships are different from equations in that the effects of changes in the causal variables take time to play out-often significant amounts of time. In the model described here, wages track prices, but only after a distributed lag. Prices change whenever the money supply, aggregate output, or the velocity of circulation of money change, but only after a distributed lag. Similarly, the money supply depends on the supplies of domestic and foreign money, which depend on the monetary base and a variety of foreign transactions, respectively. The spreading of delays mitigates the shocks of sudden changes to important inputs, but the most important aspect of this model is that delays, which often have dramatic consequences in dynamic systems, are explicitly incorporated.macroeconomics, inflation, equation of exchange, non-equilibrium, Athena Project

  17. Influence of Al content on non-equilibrium solidification behavior of Ni-Al-Ta model single crystal alloys

    Science.gov (United States)

    Ai, Cheng; Zhou, Jian; Zhang, Heng; Zhao, Xinbao; Pei, Yanling; Li, Shusuo; Gong, Shengkai

    2016-01-01

    The non-equilibrium solidification behaviors of five Ni-Al-Ta ternary model single crystal alloys with different Al contents were investigated by experimental analysis and theoretical calculation (by JMatPro) in this study. These model alloys respectively represented the γ' phase with various volume fractions (100%, 75%, 50%, 25% and 0%) at 900 °C. It was found that with decreasing Al content, liquidus temperature of experimental alloys first decreased and then increased. Meanwhile, the solidification range showed a continued downward trend. In addition, with decreasing Al content, the primary phases of non-equilibrium solidified model alloys gradually transformed from γ' phase to γ phase, and the area fraction of which first decreased and then increased. Moreover, the interdendritic/intercellular precipitation of model alloys changed from β phase (for 100% γ') to (γ+γ')Eutectic (for 75% γ'), (γ+γ')Eutectic+γ' (for 50% γ' and 25% γ') and none interdendritic precipitation (for 0% γ'), and the last stage non-equilibrium solidification sequence of model alloys was determined by the nominal Al content and different microsegregation behaviors of Al element.

  18. Effects of Non-Equilibrium Condensation on Deviation Angle and Performance Losses in Wet Steam Turbines

    Directory of Open Access Journals (Sweden)

    Hamed Bagheri Esfe

    2016-01-01

    Full Text Available In this paper, effects of non-equilibrium condensation on deviation angle and performance losses of wet stages of steam turbines are investigated. The AUSM-van Leer hybrid scheme is used to solve the two-phase turbulent transonic steam flow around a turbine rotor tip section. The dominant solver of the computational domain is the non-diffusive AUSM scheme (1993, while a smooth transition from AUSM in regions with large gradients (e.g. in and around condensation- and aerodynamic-shocks to the diffusive scheme by van Leer (1979 guarantees a robust hybrid scheme throughout the domain. The steam is assumed to obey non-equilibrium thermodynamic model, in which abrupt formation of liquid droplets produces a condensation shock. To validate the results, the experimental data by Bakhtar et al. (1995 has been used. It is observed that as a result of condensation, the aerothermodymics of the flow field changes. For example for supersonic wet case with back pressure Pb=30 kPa, the deviation angle and total pressure loss coefficient change by 65% and 200%, respectively, with respect to that in dry case.

  19. Non-equilibrium simulation of CH4 production through the depressurization method from gas hydrate reservoirs

    Science.gov (United States)

    Qorbani, Khadijeh; Kvamme, Bjørn

    2016-04-01

    Natural gas hydrates (NGHs) in nature are formed from various hydrate formers (i.e. aqueous, gas, and adsorbed phases). As a result, due to Gibbs phase rule and the combined first and second laws of thermodynamics CH4-hydrate cannot reach thermodynamic equilibrium in real reservoir conditions. CH4 is the dominant component in NGH reservoirs. It is formed as a result of biogenic degradation of biological material in the upper few hundred meters of subsurface. It has been estimated that the amount of fuel-gas reserve in NGHs exceed the total amount of fossil fuel explored until today. Thus, these reservoirs have the potential to satisfy the energy requirements of the future. However, released CH4 from dissociated NGHs could find its way to the atmosphere and it is a far more aggressive greenhouse gas than CO2, even though its life-time is shorter. Lack of reliable field data makes it difficult to predict the production potential, as well as safety of CH4 production from NGHs. Computer simulations can be used as a tool to investigate CH4 production through different scenarios. Most hydrate simulators within academia and industry treat hydrate phase transitions as an equilibrium process and those which employ the kinetic approach utilize simple laboratory data in their models. Furthermore, it is typical to utilize a limited thermodynamic description where only temperature and pressure projections are considered. Another widely used simplification is to assume only a single route for the hydrate phase transitions. The non-equilibrium nature of hydrate indicates a need for proper kinetic models to describe hydrate dissociation and reformation in the reservoir with respect to thermodynamics variables, CH4 mole-fraction, pressure and temperature. The RetrasoCodeBright (RCB) hydrate simulator has previously been extended to model CH4-hydrate dissociation towards CH4 gas and water. CH4-hydrate is added to the RCB data-base as a pseudo mineral. Phase transitions are treated

  20. COMPUTER SIMULATION OF THE STRUCTURE OF bcc/hcp AND bcc/9R MARTENSITE INTERFACES

    OpenAIRE

    Barcelo, G.; Crocker, A.

    1982-01-01

    The structures of two interfaces of martensitic transformations in Cu Zn based alloys have been investigated using computer simulation techniques. A new interatomic potential has been developed which is assumed to represent all interactions between atoms in the parent bcc phase and the product hcp and 9R phases. Stable relaxed structures of bcc/hcp and bcc/9R interfaces have been found. In both cases the interface migrates into the bcc phase during the relaxation process. The boundary in the ...

  1. Observing Organic Molecules in Interstellar Gases: Non Equilibrium Excitation.

    Science.gov (United States)

    Wiesenfeld, Laurent; Faure, Alexandre; Remijan, Anthony; Szalewicz, Krzysztof

    2014-06-01

    In order to observe quantitatively organic molecules in interstellar gas, it is necessary to understand the relative importance of photonic and collisional excitations. In order to do so, collisional excitation transfer rates have to be computed. We undertook several such studies, in particular for H_2CO and HCOOCH_3. Both species are observed in many astrochemical environments, including star-forming regions. We found that those two molecules behave in their low-lying rotational levels in an opposite way. For cis methyl-formate, a non-equilibrium radiative transfer treatment of rotational lines is performed, using a new set of theoretical collisional rate coefficients. These coefficients have been computed in the temperature range 5 to 30 K by combining coupled-channel scattering calculations with a high accuracy potential energy surface for HCOOCH_3 -- He. The results are compared to observations toward the Sagittarius B2(N) molecular cloud. A total of 2080 low-lying transitions of methyl formate, with upper levels below 25 K, were treated. These lines are found to probe a cold (30 K), moderately dense (n ˜ 104 cm-3) interstellar gas. In addition, our calculations indicate that all detected emission lines with a frequency below 30 GHz are collisionally pumped weak masers amplifying the background of Sgr B2(N). This result demonstrates the generality of the inversion mechanism for the low-lying transitions of methyl formate. For formaldehyde, we performed a similar non-equilibrium treatment, with H_2 as the collisional partner, thanks to the accurate H_2CO - H_2 potential energy surface . We found very different energy transfer rates for collisions with para-H_2 (J=0) and ortho-H_2 (J=1). The well-known absorption against the cosmological background of the 111→ 101 line is shown to depend critically on the difference of behaviour between para and ortho-H_2, for a wide range of H_2 density. We thank the CNRS-PCMI French national program for continuous support

  2. An alternative order-parameter for non-equilibrium generalized spin models on honeycomb lattices

    Science.gov (United States)

    Sastre, Francisco; Henkel, Malte

    2016-04-01

    An alternative definition for the order-parameter is proposed, for a family of non-equilibrium spin models with up-down symmetry on honeycomb lattices, and which depends on two parameters. In contrast to the usual definition, our proposal takes into account that each site of the lattice can be associated with a local temperature which depends on the local environment of each site. Using the generalised voter motel as a test case, we analyse the phase diagram and the critical exponents in the stationary state and compare the results of the standard order-parameter with the ones following from our new proposal, on the honeycomb lattice. The stationary phase transition is in the Ising universality class. Finite-size corrections are also studied and the Wegner exponent is estimated as ω =1.06(9).

  3. Relativistic heavy ion collisions with realistic non-equilibrium mean fields

    CERN Document Server

    Fuchs, C; Wolter, H H

    1996-01-01

    We study the influence of non-equilibrium phase space effects on the dynamics of heavy ion reactions within the relativistic BUU approach. We use realistic Dirac-Brueckner-Hartree-Fock (DBHF) mean fields determined for two-Fermi-ellipsoid configurations, i.e. for colliding nuclear matter, in a local phase space configuration approximation (LCA). We compare to DBHF mean fields in the local density approximation (LDA) and to the non-linear Walecka model. The results are further compared to flow data of the reaction Au on Au at 400 MeV per nucleon measured by the FOPI collaboration. We find that the DBHF fields reproduce the experiment if the configuration dependence is taken into account. This has also implications on the determination of the equation of state from heavy ion collisions.

  4. 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.

  5. The hcp to fcc transformation path of scandium trihydride under high pressure.

    Science.gov (United States)

    Pakornchote, T; Pinsook, U; Bovornratanaraks, T

    2014-01-15

    We used density functional theory to calculate the phase stability of the hcp (hexagonal close packed) and the fcc (face centered cubic) structures of ScH3. The hcp form is stable up to 22 GPa according to the generalized gradient approximation calculation. Then the fcc form becomes energetically more stable. In order to provide insight into the phase transition mechanism, we modeled the hcp to fcc transition by sliding the hcp basal planes, i.e. (001)h planes, in such a way that the ABABAB sequence of the hcp form is altered into the ABCABC sequence of the fcc form. This sliding was suggested by the experiment. The configurations of these sliding steps are our proposed intermediate configurations, whose symmetry group is the Cm group. By using the Cm crystallography, we can match the d-spacings from the lattice planes of the hcp and fcc forms and the intermediate planes measured from the experiment. We also calculated the enthalpy per step, from which the energy barrier between the two phases at various pressures was derived. The barrier at 35 GPa is 0.370 eV per formula or 0.093 eV/atom. The movements of the hydrogen atoms during the hcp to intermediate phase transition are consistent with the result from the Raman spectra.

  6. A logical model of HCP

    Directory of Open Access Journals (Sweden)

    Anatoly D. Plotnikov

    2001-01-01

    Full Text Available For an arbitrary undirected graph G, we are designing a logical model for the Hamiltonian Cycle Problem (HCP, using tools of Boolean algebra only. The obtained model is a logic formulation of the conditions for the existence of the Hamiltonian cycle, and uses m Boolean variables, where m is the number of the edges of a graph. This Boolean expression is true if and only if an initial graph is Hamiltonian. In general, the obtained Boolean expression may have an exponential length (the number of Boolean literals and may be used for construction of the solution algorithm.

  7. Non-equilibrium phenomena near vapor-liquid interfaces

    CERN Document Server

    Kryukov, Alexei; Puzina, Yulia

    2013-01-01

    This book presents information on the development of a non-equilibrium approach to the study of heat and mass transfer problems using vapor-liquid interfaces, and demonstrates its application to a broad range of problems. In the process, the following peculiarities become apparent: 1. At vapor condensation on the interface from gas-vapor mixture, non-condensable components can lock up the interface surface and condensation stops completely. 2. At the evolution of vapor film on the heater in superfluid helium (He-II), the boiling mass flux density from the vapor-liquid interface is effectively zero at the macroscopic scale. 3. In problems concerning the motion of He-II bridges inside capillaries filled by vapor, in the presence of axial heat flux the He-II bridge cannot move from the heater as would a traditional liquid, but in the opposite direction instead. Thus the heater attracts the superfluid helium bridge. 4. The shape of liquid-vapor interface at film boiling on the axis-symmetric heaters immersed in l...

  8. Non-equilibrium plasma experiments at The Pennsylvania State University

    Science.gov (United States)

    Knecht, Sean; Bilen, Sven; Micci, Michael

    2013-10-01

    The authors have recently established the capability at The Pennsylvania State University to generate non-equilibrium plasma in atmospheric-pressure air and liquids such as water and saline. The plasma is generated using a high-voltage pulser (Pacific-Electronics PT-55), which is capable of voltage pulses of 75-ns width, peak voltage >50 kV, with rise-times on the order of nanoseconds. The electrodes are tungsten wires of various diameters (50 μm, 175 μm, 254 μm) insulated with nylon tubing. The spacing of the electrodes is controlled with translating mounts with resolution of tens of microns. Spectroscopy (Ocean Optics Model HR2000) is presently used for line identification only. Current and voltage vs. time will be measured with a 500-MHz bandwidth oscilloscope, a high-voltage probe and a shunt resistor connected to the ground side of the circuit. Research directions presently being pursued include the effects of solution electrical conductivity on plasma production and propellant ignition studies. Data from several types of experiments will be presented.

  9. Some recent developments in non-equilibrium statistical physics

    Indian Academy of Sciences (India)

    K Mallick

    2009-09-01

    We first recall the laws of classical thermodynamics and the fundamental principles of statistical mechanics and emphasize the fact that the fluctuations of a system in macroscopic equilibrium, such as Brownian motion, can be explained by statistical mechanics and not by thermodynamics. In the vicinity of equilibrium, the susceptibility of a system to an infinitesimal external perturbation is related to the amplitude of the fluctuations at equilibrium (Einstein’s relation) and exhibits a symmetry discovered by Onsager. We shall then focus on the mathematical description of systems out of equilibrium using Markovian dynamics. This will allow us to present some remarkable relations derived during the last decade and valid arbitrarily far from equilibrium: the Gallavotti–Cohen fluctuation theorem and Jarzynski’s non-equilibrium work identities. These recent results will be illustrated by applying them to simple systems such as the Brownian ratchet model for molecular motors and the asymmetric exclusion process which is a basic example of a driven lattice gas.

  10. Interaction of non-equilibrium oxygen plasma with sintered graphite

    Science.gov (United States)

    Cvelbar, Uroš

    2013-03-01

    Samples made from sintered graphite with grain size of about 10 μm were exposed to highly non-equilibrium oxygen plasma created in a borosilicate glass tube by an electrodeless RF discharge. The density of charged particles was about 7 × 1015 m-3 and the neutral oxygen atom density 6 × 1021 m-3. The sample temperature was determined by a calibrated IR detector while the surface modifications were quantified by XPS and water drop techniques. The sample surface was rapidly saturated with carbonyl groups. Prolonged treatment of samples caused a decrease in concentration of the groups what was explained by thermal destruction. Therefore, the created functional groups were temperature dependent. The heating of samples resulted in extensive chemical interaction between the O atoms and samples what was best monitored by decreasing of the O atom density with increasing sample temperature. The saturation with functional groups could be restored only after cooling down of the samples and repeated short plasma treatment at low temperature.

  11. Geometry and symmetry in non-equilibrium thermodynamic systems

    Science.gov (United States)

    Sonnino, Giorgio

    2017-06-01

    The ultimate aim of this series of works is to establish the closure equations, valid for thermodynamic systems out from the Onsager region, and to describe the geometry and symmetry in thermodynamic systems far from equilibrium. Geometry of a non-equilibrium thermodynamic system is constructed by taking into account the second law of thermodynamics and by imposing the validity of the Glansdorff-Prigogine Universal Criterion of Evolution. These two constraints allow introducing the metrics and the affine connection of the Space of the Thermodynamic Forces, respectively. The Lie group associated to the nonlinear Thermodynamic Coordinate Transformations (TCT) leaving invariant both the entropy production σ and the Glansdorff-Prigogine dissipative quantity P, is also described. The invariance under TCT leads to the formulation of the Thermodynamic Covariance Principle (TCP): The nonlinear closure equations, i.e. the flux-force relations, must be covariant under TCT. In other terms, the fundamental laws of thermodynamics should be manifestly covariant under transformations between the admissible thermodynamic forces (i.e. under TCT). The symmetry properties of a physical system are intimately related to the conservation laws characterizing the thermodynamic system. Noether's theorem gives a precise description of this relation. The macroscopic theory for closure relations, based on this geometrical description and subject to the TCP, is referred to as the Thermodynamic Field Theory (TFT). This theory ensures the validity of the fundamental theorems for systems far from equilibrium.

  12. 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.

  13. Non-equilibrium plasma prevention of Schistosoma japonicum transmission

    Science.gov (United States)

    Wang, Xing-Quan; Wang, Feng-Peng; Chen, Wei; Huang, Jun; Bazaka, Kateryna; Ostrikov, Kostya (Ken)

    2016-10-01

    Schistosoma japonicum is a widespread human and animal parasite that causes intestinal and hepatosplenic schistosomiasis linked to colon, liver and bladder cancers, and anemia. Estimated 230 million people are currently infected with Schistosoma spp, with 779 million people at risk of contracting the parasite. Infection occurs when a host comes into contact with cercariae, a planktonic larval stage of the parasite, and can be prevented by inactivating the larvae, commonly by chemical treatment. We investigated the use of physical non-equilibrium plasma generated at atmospheric pressure using custom-made dielectric barrier discharge reactor to kill S. japonicum cercariae. Survival rate decreased with treatment time and applied power. Plasmas generated in O2 and air gas discharges were more effective in killing S. japonicum cercariae than that generated in He, which is directly related to the mechanism by which cercariae are inactivated. Reactive oxygen species, such as O atoms, abundant in O2 plasma and NO in air plasma play a major role in killing of S. japonicum cercariae via oxidation mechanisms. Similar level of efficacy is also shown for a gliding arc discharge plasma jet generated in ambient air, a system that may be more appropriate for scale-up and integration into existing water treatment processes.

  14. Non-equilibrium Transport in Carbon based Adsorbate Systems

    Science.gov (United States)

    Fürst, Joachim; Brandbyge, Mads; Stokbro, Kurt; Jauho, Antti-Pekka

    2007-03-01

    We have used the Atomistix Tool Kit(ATK) and TranSIESTA[1] packages to investigate adsorption of iron atoms on a graphene sheet. The technique of both codes is based on density functional theory using local basis sets[2], and non-equilibrium Green's functions (NEGF) to calculate the charge distribution under external bias. Spin dependent electronic structure calculations are performed for different iron coverages. These reveal adsorption site dependent charge transfer from iron to graphene leading to screening effects. Transport calculations show spin dependent scattering of the transmission which is analysed obtaining the transmission eigenchannels for each spin type. The phenomena of electromigration of iron in these systems at finite bias will be discussed, estimating the so-called wind force from the reflection[3]. [1] M. Brandbyge, J.-L. Mozos, P. Ordejon, J. Taylor, and K. Stokbro. Physical Review B (Condensed Matter and Materials Physics), 65(16):165401/11-7, 2002. [2] Jose M. Soler, Emilio Artacho, Julian D. Gale, Alberto Garcia, Javier Junquera, Pablo Ordejon, and Daniel Sanchez-Portal. Journal of Physics Condensed Matter, 14(11):2745-2779, 2002. [3] Sorbello. Theory of electromigration. Solid State Physics, 1997.

  15. Non-equilibrium plasma prevention of Schistosoma japonicum transmission.

    Science.gov (United States)

    Wang, Xing-Quan; Wang, Feng-Peng; Chen, Wei; Huang, Jun; Bazaka, Kateryna; Ostrikov, Kostya Ken

    2016-10-14

    Schistosoma japonicum is a widespread human and animal parasite that causes intestinal and hepatosplenic schistosomiasis linked to colon, liver and bladder cancers, and anemia. Estimated 230 million people are currently infected with Schistosoma spp, with 779 million people at risk of contracting the parasite. Infection occurs when a host comes into contact with cercariae, a planktonic larval stage of the parasite, and can be prevented by inactivating the larvae, commonly by chemical treatment. We investigated the use of physical non-equilibrium plasma generated at atmospheric pressure using custom-made dielectric barrier discharge reactor to kill S. japonicum cercariae. Survival rate decreased with treatment time and applied power. Plasmas generated in O2 and air gas discharges were more effective in killing S. japonicum cercariae than that generated in He, which is directly related to the mechanism by which cercariae are inactivated. Reactive oxygen species, such as O atoms, abundant in O2 plasma and NO in air plasma play a major role in killing of S. japonicum cercariae via oxidation mechanisms. Similar level of efficacy is also shown for a gliding arc discharge plasma jet generated in ambient air, a system that may be more appropriate for scale-up and integration into existing water treatment processes.

  16. Effect of thermal non-equilibrium on transient hydromagnetic flow over a moving surface in a nanofluid saturated porous media

    Energy Technology Data Exchange (ETDEWEB)

    Muthtamilselvan, M.; Prakash, D. [Bharathiar University, Coimbatore (Iran, Islamic Republic of); Doh, Deog Hee [Korea Maritime University, Busan (Korea, Republic of)

    2014-09-15

    This work is made to study the effect of local thermal non-equilibrium (LTNE) on transient MHD laminar boundary layer flow of viscous, incompressible nanofluid over a vertical stretching plate embedded in a sparsely packed porous medium. The flow in the porous medium is governed by simple Darcy model. The model used for the nanofluid incorporates the effects of Brownian motion and thermophoresis. Three temperature model is used to represent the local thermal non-equilibrium among the particle, fluid, and solid-matrix phases. By applying similarity analysis, the governing partial differential equations are transformed into a set of time dependent nonlinear coupled ordinary differential equations and they are solved by Runge-Kutta Fehlberg Method along with shooting technique. Numerical results of the boundary layer flow characteristics for the fluid, particle and solid phases are obtained for various combinations of the physical parameters. It is found that the thermal non-equilibrium effects are strongest when the fluid/particle, fluid/solid Nield numbers and thermal capacity ratios are small. Moreover, the amount of heat transfer is maximum in nanoparticles than that of fluid and solid phases because of enhancement of thermal conductivity in nanofluids.

  17. Polymeric Graphitic Carbon Nitride Doped with CuO Dispersed on Dealuminated Clinoptilolite (CuO/HCP): Synthesis and Characterisation

    OpenAIRE

    Saheed Olalekan Sanni; Omoruyi Gold Idemudia

    2015-01-01

    CuO dispersed on dealuminated clinoptilolite (CuO/HCP) and further doped with polymeric graphitic carbon nitride (CuO/HCP-g-C3N4) was synthesized through 2 facile routes: precipitation method for CuO/HCP and impregnation through ultrasonication method for the hybrid composite material. The hybrid composite material crystalline phase, surface morphology, and structural and thermal properties were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-r...

  18. Non equilibrium steady states: fluctuations and large deviations of the density and of the current

    OpenAIRE

    Derrida, B.

    2007-01-01

    These lecture notes give a short review of methods such as the matrix ansatz, the additivity principle or the macroscopic fluctuation theory, developed recently in the theory of non-equilibrium phenomena. They show how these methods allow to calculate the fluctuations and large deviations of the density and of the current in non-equilibrium steady states of systems like exclusion processes. The properties of these fluctuations and large deviation functions in non-equilibrium steady states (fo...

  19. 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.

  20. Investigation of Non-Equilibrium Argon and Hydrogen Plasmas.

    Science.gov (United States)

    Braun, Christopher Gifford

    1987-09-01

    Theoretical and experimental investigations are made into non-equilibrium argon and hydrogen partially -ionized plasmas characteristic of glow discharge devices such as thyratrons and discharge tubes. For an argon plasma, the development and use of a collisional-radiative, steady -state, three-energy-level model is presented and experimental measurements on pulsed argon plasmas are briefly mentioned. Two different theoretical argon plasma models are discussed; the first is numerically solved using a non-Maxwellian electron distribution function, while the second is solved analytically, including atom-atom inelastic collisions, assuming Maxwellian electron and atom distribution functions. For a hydrogen plasma, experimental measurements using fluorescence and laser-induced fluorescence have been made in a modified hydrogen thyratron over a wide current density range (from 100 to 8,000 A/cm('2)) for the atomic hydrogen population densities n = 2,3,4. A pronounced rise in the atomic hydrogen excited state populations is observed after the end of the current pulse. A new method to measure the time-resolved electron density has been developed and results are presented. A time-dependent model for atomic hydrogen plasmas typical of a thyratron has been constructed, and preliminary results are shown. This model includes ten atomic energy levels (n = 1 to n = 9 and the continuum), takes into account energy balance with an externally supplied current density and assumes a Maxwellian electron distribution function. Implications of these measurements and theoretical analysis upon the operation of thyratrons are discussed. (Copies available exclusively from Micrographics Department, Doheny Library, University of Southern California, Los Angeles, CA 90089 -0182.).

  1. Global dynamics of non-equilibrium gliding in animals.

    Science.gov (United States)

    Yeaton, Isaac; Socha, Jake; Ross, Shane

    2017-02-16

    Gliding flight - moving horizontally downward through the air without power - has evolved in a broad diversity of taxa and serves numerous ecologically relevant functions such as predator escape, expanding foraging locations, and finding mates, and has been suggested as an evolutionary pathway to powered flight. Historically, gliding has been conceptualized using the idealized conditions of equilibrium, in which the net aerodynamic force on the glider balances its weight. While this assumption is appealing for its simplicity, recent studies of glide trajectories have shown that equilibrium gliding is not the norm for most species. Furthermore, equilibrium theory neglects the aerodynamic differences between species, as well as how a glider can modify its glide path using control. To investigate non-equilibrium glide behavior, we developed a reduced-order model of gliding that accounts for self-similarity in the equations of motion, such that the lift and drag characteristics alone determine the glide trajectory. From analysis of velocity polar diagrams of horizontal and vertical velocity from several gliding species, we find that pitch angle, the angle between the horizontal and chord line, is a control parameter that can be exploited to modulate glide angle and glide speed. Varying pitch results in changing locations of equilibrium glide configurations in the velocity polar diagram that govern passive glide dynamics. Such analyses provide a new mechanism of interspecies comparison and tools to understand experimentally-measured kinematics data and theory. In addition, this analysis suggests that the lift and drag characteristics of aerial and aquatic autonomous gliders can be engineered to passively alter glide trajectories with minimal control effort.

  2. Non-equilibrium steady states in two-temperature Ising models with Kawasaki dynamics

    Science.gov (United States)

    Borchers, Nick; Pleimling, Michel; Zia, R. K. P.

    2013-03-01

    From complex biological systems to a simple simmering pot, thermodynamic systems held out of equilibrium are exceedingly common in nature. Despite this, a general theory to describe these types of phenomena remains elusive. In this talk, we explore a simple modification of the venerable Ising model in hopes of shedding some light on these issues. In both one and two dimensions, systems attached to two distinct heat reservoirs exhibit many of the hallmarks of phase transition. When such systems settle into a non-equilibrium steady-state they exhibit numerous interesting phenomena, including an unexpected ``freezing by heating.'' There are striking and surprising similarities between the behavior of these systems in one and two dimensions, but also intriguing differences. These phenomena will be explored and possible approaches to understanding the behavior will be suggested. Supported by the US National Science Foundation through Grants DMR-0904999, DMR-1205309, and DMR-1244666

  3. Magnetic structures propagating in non-equilibrium relativistic plasma of pulsar wind nebulae

    Science.gov (United States)

    Petrov, A. E.; Bykov, A. M.

    2016-11-01

    The kinetic model of highly non-equilibrium relativistic electron-positron plasma is used to study dynamical magnetic structures in pulsar wind nebulae (PWNe). The evolution equation which describes a propagation of a long-wavelength magnetosonic type perturbation of small but finite amplitude is derived. The wavelength is assumed to be longer than the scattering length of the background positrons and electrons. The rates of scattering of electrons and positrons by the stochastic magnetic field fluctuations are distinguished but the difference is supposed to be small compared with the gyrofrequencies of particles. The phase velocity, the dissipation rate and the dispersion length of the magnetic pulse are studied as the functions of plasma parameters and the scattering rates of electrons and positrons. The model being confronted to observations can help to determine the pulsar wind composition, particle distribution and non-thermal pressure in PWNe.

  4. Processing and crystallographic structure of non-equilibrium Si-doped HfO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Dong; Fancher, Chris M.; Esteves, Giovanni; Jones, Jacob L., E-mail: jacobjones@ncsu.edu [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Zhao, Lili [School of Information Science and Technology, Northwest University, Xi' an 710127 (China)

    2015-06-28

    Si-doped HfO{sub 2} was confirmed to exist as a non-equilibrium state. The crystallographic structures of Si-doped HfO{sub 2} were studied using high-resolution synchrotron X-ray diffraction and the Rietveld refinement method. Incorporation of Si into HfO{sub 2} and diffusion of Si out of (Hf,Si)O{sub 2} were determined as a function of calcination temperature. Higher thermal energy input at elevated calcination temperatures resulted in the formation of HfSiO{sub 4}, which is the expected major secondary phase in Si-doped HfO{sub 2}. The effect of SiO{sub 2} particle size (nano- and micron-sized) on the formation of Si-doped HfO{sub 2} was also determined. Nano-crystalline SiO{sub 2} was found to incorporate into HfO{sub 2} more readily.

  5. Non-equilibrium many-body effects in driven nonlinear resonator arrays

    CERN Document Server

    Grujic, T; Angelakis, D G; Jaksch, D

    2012-01-01

    We study the non-equilibrium behavior of optically driven dissipative coupled resonator arrays. Assuming each resonator is coupled with a two-level system via a Jaynes-Cummings interaction, we calculate the many-body steady state behavior of the system under coherent pumping and dissipation. We propose and analyze the many-body phases using experimentally accessible quantities such as the total excitation number, the emitted photon spectra and photon coherence functions for different parameter regimes. In parallel, we also compare and contrast the expected behavior of this system assuming the local nonlinearity in the cavities is generated by a generic Kerr effect rather than a Jaynes-Cummings interaction. We find that the behavior of the experimentally accessible observables produced by the two models differs for realistic regimes of interactions even when the corresponding nonlinearities are of similar strength. We analyze in detail the extra features available in the Jaynes-Cummings-Hubbard (JCH) model ori...

  6. Expect the unexpected: non-equilibrium processes in brown dwarf atmospheres

    CERN Document Server

    Helling, Christiane

    2014-01-01

    Brown Dwarf atmosphere are a chemically extremely rich, one example being the formation of clouds driven by the phase-non-equilibrium of the atmospheric gas. Cloud formation modelling is an integral part of any atmosphere simulation used to interpret spectral observations of ultra-cool objects and to determine fundamental parameters like log(g) and Teff. This proceeding to the workshop 'GAIA and the Unseen: The Brown Dwarf Question' first summarizes what a model atmosphere simulation is, and then advocates two ideas: A) The use of a multitude of model families to determine fundamental parameters with realistic confidence interval. B) To keep an eye on the unexpected, like for example, ionisation signatures resulting plasma processes

  7. δ/γ transformation in non-equilibrium solidified peritectic Fe-Ni alloy

    Institute of Scientific and Technical Information of China (English)

    CHEN YuZeng; LIU Feng; YANG GenCang; LIU Ning; ZHOU YaoHe

    2007-01-01

    Through phase transformation kinetic analysis and experimental observation, the δ/γ transformation occurring in the non-equilibrium peritectic Fe-4.33at.%Ni alloys was systematically investigated. According to JMA solid-state transformation kinetic theory, the Time-Temperature-Transformation (TTT) curves of the δ/γ transformation in peritectic Fe-Ni alloy were calculated. On this basis, the physical correlation between the δ/γ transformation and the initial undercooling of melt (△T) was elucidated. The results indicate that the change of △T can alter not only the overall δ/γ transformation pathways but also the transformation fraction with respect to each transformation mechanism.

  8. Thermo-stability of ultra-fine non-equilibrium microstructures

    Institute of Scientific and Technical Information of China (English)

    Huibin Wu; Shanwu Yang; Aimin Guo; Shaoqiang Yuan; Chengjia Shang; Xinlai He

    2004-01-01

    The evolution of the microstructures and hardness of a bainitic plate steel during tempering at 650℃ has been investigated.The steel was manufactured by RPC (relaxation-precipitation controlling phase transformation) technique. A part of the plate was reheated to 930℃ and held for 1 h before quenched into water (RQ). No obvious change was detected by means of optical microscopy in the RPC steel tempering for 0.5 h, while dislocation cells were formed inside the bainite laths, accompanied by an obvious drop of hardness. The bainite laths started to coalesce in some regions, but the sample hardness kept nearly constant during tempering from 1 to 7 h. With further tempering, polygonal ferrite was formed in local regions while the hardness decreased dramatically. The RQ samples softened faster during tempering and finally transformed into the polygonal ferrite completely. These results indicate that the thermo-stability of fine non-equilibrium microstructures is tightly related to their history.

  9. Non-equilibrium effects in a Josephson junction coupled to a precessing spin

    Energy Technology Data Exchange (ETDEWEB)

    Fogelstroem, Mikael [Department of Microtechnology and Nanoscience, Chalmers University of Technology, 42196 Goeteborg (Sweden)

    2015-07-01

    I will discuss a theoretical study of s-wave superconductors coupled to a classical spin. When an external magnetic field is applied, the classical spin can be driven to precess with the Larmor frequency. This results in a time-dependent boundary condition for the superconducting quasiparticles, with different tunnelling amplitudes for spin-up and spin-down quasiparticles and where the precession produces spin-flip scattering processes. Andreev states develop at the interface with a non-equilibrium population which depend on how the spin is driven. The Andreev states carry a steady-state Josephson current whose current-phase relation could be used for characterising the spin. In addition to the charge transport, a spin current is also generated. This spin current will induce a torque and couple back to the dynamics of the classical spin.

  10. Consistent simulations of substellar atmospheres and non-equilibrium dust-cloud formation

    CERN Document Server

    Helling, Christiane; Woitke, Peter; Hauschildt, Peter H

    2008-01-01

    We aim to understand cloud formation in substellar objects. We combined the non-equilibrium, stationary cloud model of Helling, Woitke & Thi (2008; seed formation, growth, evaporation, gravitational settling, element conservation) with the general-purpose model atmosphere code PHOENIX (radiative transfer, hydrostatic equilibrium, mixing length theory, chemical equilibrium) in order to consistently calculate cloud formation and radiative transfer with their feedback on convection and gas phase depletion. We calculate the complete 1D model atmosphere structure and the chemical details of the cloud layers. The DRIFT-PHOENIX models enable the first stellar atmosphere simulation that is based on the actual cloud formation process. The resulting (T,p) profiles differ considerably from the previous limiting PHOENIX cases DUSTY and COND. A tentative comparison with observations demonstrates that the determination of effective temperatures based on simple cloud models has to be applied with care. Based on our new ...

  11. Real-time powder diffraction studies of energy materials under non-equilibrium conditions

    Directory of Open Access Journals (Sweden)

    Vanessa K. Peterson

    2017-09-01

    Full Text Available Energy materials form the central part of energy devices. An essential part of their function is the ability to reversibly host charge or energy carriers, and analysis of their phase composition and structure in real time under non-equilibrium conditions is mandatory for a full understanding of their atomic-scale functional mechanism. Real-time powder diffraction is increasingly being applied for this purpose, forming a critical step in the strategic chemical engineering of materials with improved behaviour. This topical review gives examples of real-time analysis using powder diffraction of rechargeable battery electrodes and porous sorbent materials used for the separation and storage of energy-relevant gases to demonstrate advances in the insights which can be gained into their atomic-scale function.

  12. Non-equilibrium transitions in multiscale systems with a bifurcating slow manifold

    Science.gov (United States)

    Grafke, Tobias; Vanden-Eijnden, Eric

    2017-09-01

    Noise-induced transitions between metastable fixed points in systems evolving on multiple time scales are analyzed in situations where the time scale separation gives rise to a slow manifold with bifurcation. This analysis is performed within the realm of large deviation theory. It is shown that these non-equilibrium transitions make use of a reaction channel created by the bifurcation structure of the slow manifold, leading to vastly increased transition rates. Several examples are used to illustrate these findings, including an insect outbreak model, a system modeling phase separation in the presence of evaporation, and a system modeling transitions in active matter self-assembly. The last example involves a spatially extended system modeled by a stochastic partial differential equation.

  13. Step-wise pulling protocols for non-equilibrium dynamics

    Science.gov (United States)

    Ngo, Van Anh

    The fundamental laws of thermodynamics and statistical mechanics, and the deeper understandings of quantum mechanics have been rebuilt in recent years. It is partly because of the increasing power of computing resources nowadays, that allow shedding direct insights into the connections among the thermodynamics laws, statistical nature of our world, and the concepts of quantum mechanics, which have not yet been understood. But mostly, the most important reason, also the ultimate goal, is to understand the mechanisms, statistics and dynamics of biological systems, whose prevailing non-equilibrium processes violate the fundamental laws of thermodynamics, deviate from statistical mechanics, and finally complicate quantum effects. I believe that investigations of the fundamental laws of non-equilibrium dynamics will be a frontier research for at least several more decades. One of the fundamental laws was first discovered in 1997 by Jarzynski, so-called Jarzynski's Equality. Since then, different proofs, alternative descriptions of Jarzynski's Equality, and its further developments and applications have been quickly accumulated. My understandings, developments and applications of an alternative theory on Jarzynski's Equality form the bulk of this dissertation. The core of my theory is based on stepwise pulling protocols, which provide deeper insight into how fluctuations of reaction coordinates contribute to free-energy changes along a reaction pathway. We find that the most optimal pathways, having the largest contribution to free-energy changes, follow the principle of detailed balance. This is a glimpse of why the principle of detailed balance appears so powerful for sampling the most probable statistics of events. In a further development on Jarzynski's Equality, I have been trying to use it in the formalism of diagonal entropy to propose a way to extract useful thermodynamic quantities such temperature, work and free-energy profiles from far

  14. Exciton correlations and input-output relations in non-equilibrium exciton superfluids

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Jinwu, E-mail: jy306@ccs.msstate.edu [Key Laboratory of Terahertz Optoelectronics, Ministry of Education, Department of Physics, Capital Normal University, Beijing 100048 (China); Department of Physics and Astronomy, Mississippi State University, MS 39762 (United States); Sun, Fadi; Yu, Yi-Xiang [Department of Physics and Astronomy, Mississippi State University, MS 39762 (United States); Institute of Physics, Chinese Academy of Sciences, Beijing, 100080 (China); Liu, Wuming [Institute of Physics, Chinese Academy of Sciences, Beijing, 100080 (China)

    2013-02-15

    The photoluminescence (PL) measurements on photons and the transport measurements on excitons are the two types of independent and complementary detection tools to search for possible exciton superfluids in electron-hole semi-conductor bilayer systems. In fact, it was believed that the transport measurements can provide more direct evidences on superfluids than the spectroscopic measurements. It is important to establish the relations between the two kinds of measurements. In this paper, using quantum Heisenberg-Langevin equations, we establish such a connection by calculating various exciton correlation functions in the putative exciton superfluids. These correlation functions include both normal and anomalous greater, lesser, advanced, retarded, and time-ordered exciton Green functions and also various two exciton correlation functions. We also evaluate the corresponding normal and anomalous spectral weights and the Keldysh distribution functions. We stress the violations of the fluctuation and dissipation theorem among these various exciton correlation functions in the non-equilibrium exciton superfluids. We also explore the input-output relations between various exciton correlation functions and those of emitted photons such as the angle resolved photon power spectrum, phase sensitive two mode squeezing spectrum and two photon correlations. Applications to possible superfluids in the exciton-polariton systems are also mentioned. For a comparison, using conventional imaginary time formalism, we also calculate all the exciton correlation functions in an equilibrium dissipative exciton superfluid in the electron-electron coupled semi-conductor bilayers at the quantum Hall regime at the total filling factor {nu}{sub T}=1. We stress the analogies and also important differences between the correlations functions in the two exciton superfluid systems. - Highlights: Black-Right-Pointing-Pointer Establish the relations between photoluminescence and transport

  15. Non-equilibrium physics of Rydberg lattices in the presence of noise and dissipative processes

    Science.gov (United States)

    Abdussalam, Wildan; Gil, Laura I. R.

    2016-12-01

    We study the non-equilibrium dynamics of driven spin lattices in the presence of decoherence caused by either laser phase noise or strong decay. In the first case, we discriminate between correlated and uncorrelated noise and explore their effect on the mean density of Rydberg states and the full counting statistics (FCS). We find that while the mean density is almost identical in both cases, the FCS differ considerably. The main method employed is the Langevin equation (LE) but for the sake of efficiency in certain regimes, we use a Markovian master equation and Monte Carlo rate equations, respectively. In the second case, we consider dissipative systems with more general power-law interactions. We determine the phase diagram in the steady state and analyse its generation dynamics using Monte Carlo rate equations. In contrast to nearest-neighbour models, there is no transition to long-range-ordered phases for realistic interactions and resonant driving. Yet, for finite laser detunings, we show that Rydberg lattices can undergo a dissipative phase transition to a long-range-ordered antiferromagnetic (AF) phase. We identify the advantages of Monte Carlo rate equations over mean field (MF) predictions.

  16. Reactive species in non-equilibrium atmospheric-pressure plasmas: Generation, transport, and biological effects

    Science.gov (United States)

    Lu, X.; Naidis, G. V.; Laroussi, M.; Reuter, S.; Graves, D. B.; Ostrikov, K.

    2016-05-01

    Non-equilibrium atmospheric-pressure plasmas have recently become a topical area of research owing to their diverse applications in health care and medicine, environmental remediation and pollution control, materials processing, electrochemistry, nanotechnology and other fields. This review focuses on the reactive electrons and ionic, atomic, molecular, and radical species that are produced in these plasmas and then transported from the point of generation to the point of interaction with the material, medium, living cells or tissues being processed. The most important mechanisms of generation and transport of the key species in the plasmas of atmospheric-pressure plasma jets and other non-equilibrium atmospheric-pressure plasmas are introduced and examined from the viewpoint of their applications in plasma hygiene and medicine and other relevant fields. Sophisticated high-precision, time-resolved plasma diagnostics approaches and techniques are presented and their applications to monitor the reactive species and plasma dynamics in the plasma jets and other discharges, both in the gas phase and during the plasma interaction with liquid media, are critically reviewed. The large amount of experimental data is supported by the theoretical models of reactive species generation and transport in the plasmas, surrounding gaseous environments, and plasma interaction with liquid media. These models are presented and their limitations are discussed. Special attention is paid to biological effects of the plasma-generated reactive oxygen and nitrogen (and some other) species in basic biological processes such as cell metabolism, proliferation, survival, etc. as well as plasma applications in bacterial inactivation, wound healing, cancer treatment and some others. Challenges and opportunities for theoretical and experimental research are discussed and the authors' vision for the emerging convergence trends across several disciplines and application domains is presented to

  17. Reactive species in non-equilibrium atmospheric-pressure plasmas: Generation, transport, and biological effects

    Energy Technology Data Exchange (ETDEWEB)

    Lu, X., E-mail: luxinpei@hotmail.com [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); IFSA Collaborative Innovation Center, Shanghai Jiao Tong University, Shanghai 200240 (China); Naidis, G.V. [Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow 125412 (Russian Federation); Laroussi, M. [Plasma Engineering & Medicine Institute, Old Dominion University, Norfolk, VA 23529 (United States); Reuter, S. [Leibniz Institute for Plasma Science and Technology, Felix-Hausdorff-Strasse 2, 17489 Greifswald (Germany); Graves, D.B. [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, CA 94720 (United States); Ostrikov, K. [Institute for Future Environments, Queensland University of Technology, Brisbane, QLD 4000 (Australia); School of Physics, Chemistry, and Mechanical Engineering, Queensland University of Technology, Brisbane, QLD 4000 (Australia); Commonwealth Scientific and Industrial Research Organization, P.O.Box 218, Lindfield, NSW 2070 (Australia); School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia)

    2016-05-04

    Non-equilibrium atmospheric-pressure plasmas have recently become a topical area of research owing to their diverse applications in health care and medicine, environmental remediation and pollution control, materials processing, electrochemistry, nanotechnology and other fields. This review focuses on the reactive electrons and ionic, atomic, molecular, and radical species that are produced in these plasmas and then transported from the point of generation to the point of interaction with the material, medium, living cells or tissues being processed. The most important mechanisms of generation and transport of the key species in the plasmas of atmospheric-pressure plasma jets and other non-equilibrium atmospheric-pressure plasmas are introduced and examined from the viewpoint of their applications in plasma hygiene and medicine and other relevant fields. Sophisticated high-precision, time-resolved plasma diagnostics approaches and techniques are presented and their applications to monitor the reactive species and plasma dynamics in the plasma jets and other discharges, both in the gas phase and during the plasma interaction with liquid media, are critically reviewed. The large amount of experimental data is supported by the theoretical models of reactive species generation and transport in the plasmas, surrounding gaseous environments, and plasma interaction with liquid media. These models are presented and their limitations are discussed. Special attention is paid to biological effects of the plasma-generated reactive oxygen and nitrogen (and some other) species in basic biological processes such as cell metabolism, proliferation, survival, etc. as well as plasma applications in bacterial inactivation, wound healing, cancer treatment and some others. Challenges and opportunities for theoretical and experimental research are discussed and the authors’ vision for the emerging convergence trends across several disciplines and application domains is presented to

  18. The effects of metallicity, UV radiation and non-equilibrium chemistry in high-resolution simulations of galaxies

    CERN Document Server

    Richings, Alexander J

    2015-01-01

    We present a series of hydrodynamic simulations of isolated galaxies with stellar mass of $10^{9} \\, \\rm{M}_{\\odot}$. The models use a resolution of $750 \\, \\rm{M}_{\\odot}$ per particle and include a treatment for the full non-equilibrium chemical evolution of ions and molecules (157 species in total), along with gas cooling rates computed self-consistently using the non-equilibrium abundances. We compare these to simulations evolved using cooling rates calculated assuming chemical (including ionisation) equilibrium, and we consider a wide range of metallicities and UV radiation fields, including a local prescription for self-shielding by gas and dust. We find higher star formation rates and stronger outflows at higher metallicity and for weaker radiation fields, as gas can more easily cool to a cold (few hundred Kelvin) star forming phase under such conditions. Contrary to variations in the metallicity and the radiation field, non-equilibrium chemistry generally has no strong effect on the total star formati...

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

    Science.gov (United States)

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

    2015-11-01

    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.

  20. Response Theory for Equilibrium and Non-Equilibrium Statistical Mechanics: Causality and Generalized Kramers-Kronig Relations

    Science.gov (United States)

    Lucarini, Valerio

    2008-05-01

    We consider the general response theory recently proposed by Ruelle for describing the impact of small perturbations to the non-equilibrium steady states resulting from Axiom A dynamical systems. We show that the causality of the response functions entails the possibility of writing a set of Kramers-Kronig (K-K) relations for the corresponding susceptibilities at all orders of nonlinearity. Nonetheless, only a special class of directly observable susceptibilities obey K-K relations. Specific results are provided for the case of arbitrary order harmonic response, which allows for a very comprehensive K-K analysis and the establishment of sum rules connecting the asymptotic behavior of the harmonic generation susceptibility to the short-time response of the perturbed system. These results set in a more general theoretical framework previous findings obtained for optical systems and simple mechanical models, and shed light on the very general impact of considering the principle of causality for testing self-consistency: the described dispersion relations constitute unavoidable benchmarks that any experimental and model generated dataset must obey. The theory exposed in the present paper is dual to the time-dependent theory of perturbations to equilibrium states and to non-equilibrium steady states, and has in principle similar range of applicability and limitations. In order to connect the equilibrium and the non equilibrium steady state case, we show how to rewrite the classical response theory by Kubo so that response functions formally identical to those proposed by Ruelle, apart from the measure involved in the phase space integration, are obtained. These results, taking into account the chaotic hypothesis by Gallavotti and Cohen, might be relevant in several fields, including climate research. In particular, whereas the fluctuation-dissipation theorem does not work for non-equilibrium systems, because of the non-equivalence between internal and external

  1. Non-equilibrium physics of Rydberg lattices in the presence of noise and dissipative processes

    CERN Document Server

    Abdussalam, Wildan

    2016-01-01

    We study the non-equilibrium dynamics of driven spin lattices in the presence of decoherence caused by either laser phase noise or strong decay. In the first case, we discriminate between correlated and uncorrelated noise and explore their effect on the mean density of Rydberg states and the full counting statistics (FCS). We find that while the mean density is almost identical in both cases, the FCS differ considerably. The main method employed is the Langevin equation (LE) but for the sake of efficiency in certain regimes, we use a Markovian master equation and Monte Carlo rate equations, respectively. In the second case, we consider dissipative systems with more general power-law interactions. We determine the phase diagram in the steady state and analyse its generation dynamics using Monte Carlo rate equations. In contrast to nearest-neighbour models, there is no transition to long-range-ordered phases for realistic interactions and resonant driving. Yet, for finite laser detunings, we show that Rydberg l...

  2. Theoretical Computation for Non-Equilibrium Air Plasma Electrical Conductivity at Atmospheric Pressure

    Institute of Scientific and Technical Information of China (English)

    HAN Dong; GUO Wen-Kang; XU Ping; LIANG Rong-Qing

    2007-01-01

    @@ Based on the Chapman-Enskog theory, we calculate the electrical conductivity of non-equilibrium air plasma in the two-temperature model. We consider different degrees of non-equilibrium, which is defined by the ratio of electronic temperature to heavy particles temperature. The method of computing the composition of air plasma is demonstrated. After calculating the electrical conductivity from electron temperature 1000 K to 15000K, the present result is compared with Murphy's study [Plasma Chem. Plasma Process 15 (1994) 279] for equilibrium case. All the calculation is completed at atmospheric pressure. The present results may have potential applications in numerical calculation of non-equilibrium air plasma.

  3. Non-equilibrium steady states: fluctuations and large deviations of the density and of the current

    Science.gov (United States)

    Derrida, Bernard

    2007-07-01

    These lecture notes give a short review of methods such as the matrix ansatz, the additivity principle or the macroscopic fluctuation theory, developed recently in the theory of non-equilibrium phenomena. They show how these methods allow us to calculate the fluctuations and large deviations of the density and the current in non-equilibrium steady states of systems like exclusion processes. The properties of these fluctuations and large deviation functions in non-equilibrium steady states (for example, non-Gaussian fluctuations of density or non-convexity of the large deviation function which generalizes the notion of free energy) are compared with those of systems at equilibrium.

  4. Minijet Initial Conditions For Non-Equilibrium Parton Evolution at RHIC and LHC

    CERN Document Server

    Cooper, F; Nayak, G C

    2003-01-01

    An important ingredient for the non-equilibrium evolution of partons at RHIC and LHC is to have some physically reasonable initial conditions for the single particle phase space distribution functions for the partons. We consider several plausible parametrizations of initial conditions for the single particle distribution function f /sub i/ (x, p) and fix the parameters by matching integral f (x, p)p /sup mu / d sigma /sub mu / to the invariant momentum space semi-hard parton distributions obtained using perturbative QCD (pQCD), as well as fitting low order moments of the distribution function. We consider parametrizations of fi (x, p) with both boost invariant and boost non-invariant assumptions. We determine the initial number density, energy density and the corresponding (effective) temperature of the minijet plasma at RHIC and LHC energies. For a boost non- invariant minijet phase-space distribution function we obtain ~ 30 (140)/fm/sup 3/ as the initial number density, ~ 50(520) GeV/fm/sup 3 / as the init...

  5. Kinetics of low-temperature transitions and a reaction rate theory from non-equilibrium distributions.

    Science.gov (United States)

    Aquilanti, Vincenzo; Coutinho, Nayara Dantas; Carvalho-Silva, Valter Henrique

    2017-04-28

    This article surveys the empirical information which originated both by laboratory experiments and by computational simulations, and expands previous understanding of the rates of chemical processes in the low-temperature range, where deviations from linearity of Arrhenius plots were revealed. The phenomenological two-parameter Arrhenius equation requires improvement for applications where interpolation or extrapolations are demanded in various areas of modern science. Based on Tolman's theorem, the dependence of the reciprocal of the apparent activation energy as a function of reciprocal absolute temperature permits the introduction of a deviation parameter d covering uniformly a variety of rate processes, from those where quantum mechanical tunnelling is significant and d  0, corresponding to the Pareto-Tsallis statistical weights: these generalize the Boltzmann-Gibbs weight, which is recovered for d = 0. It is shown here how the weights arise, relaxing the thermodynamic equilibrium limit, either for a binomial distribution if d > 0 or for a negative binomial distribution if d theory for chemical kinetics including quantum mechanical tunnelling, and for case (iii) to the stereodirectional specificity of the dynamics of reactions strongly hindered by the increase of temperature.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).

  6. Non-equilibrium relaxation in a stochastic lattice Lotka-Volterra model

    Science.gov (United States)

    Chen, Sheng; Täuber, Uwe C.

    2016-04-01

    We employ Monte Carlo simulations to study a stochastic Lotka-Volterra model on a two-dimensional square lattice with periodic boundary conditions. If the (local) prey carrying capacity is finite, there exists an extinction threshold for the predator population that separates a stable active two-species coexistence phase from an inactive state wherein only prey survive. Holding all other rates fixed, we investigate the non-equilibrium relaxation of the predator density in the vicinity of the critical predation rate. As expected, we observe critical slowing-down, i.e., a power law dependence of the relaxation time on the predation rate, and algebraic decay of the predator density at the extinction critical point. The numerically determined critical exponents are in accord with the established values of the directed percolation universality class. Following a sudden predation rate change to its critical value, one finds critical aging for the predator density autocorrelation function that is also governed by universal scaling exponents. This aging scaling signature of the active-to-absorbing state phase transition emerges at significantly earlier times than the stationary critical power laws, and could thus serve as an advanced indicator of the (predator) population’s proximity to its extinction threshold.

  7. Non-equilibrium relaxation in a stochastic lattice Lotka-Volterra model.

    Science.gov (United States)

    Chen, Sheng; Täuber, Uwe C

    2016-04-19

    We employ Monte Carlo simulations to study a stochastic Lotka-Volterra model on a two-dimensional square lattice with periodic boundary conditions. If the (local) prey carrying capacity is finite, there exists an extinction threshold for the predator population that separates a stable active two-species coexistence phase from an inactive state wherein only prey survive. Holding all other rates fixed, we investigate the non-equilibrium relaxation of the predator density in the vicinity of the critical predation rate. As expected, we observe critical slowing-down, i.e., a power law dependence of the relaxation time on the predation rate, and algebraic decay of the predator density at the extinction critical point. The numerically determined critical exponents are in accord with the established values of the directed percolation universality class. Following a sudden predation rate change to its critical value, one finds critical aging for the predator density autocorrelation function that is also governed by universal scaling exponents. This aging scaling signature of the active-to-absorbing state phase transition emerges at significantly earlier times than the stationary critical power laws, and could thus serve as an advanced indicator of the (predator) population's proximity to its extinction threshold.

  8. RareNoise: non-equilibrium effects in detectors of gravitational waves

    Energy Technology Data Exchange (ETDEWEB)

    Conti, L [INFN, Sezione di Padova, Via Marzolo 8, I-35131 Padova (Italy); Bonaldi, M [Istituto di Fotonica e Nanotecnologie, CNR-Fondazione Bruno Kessler, 38100 Povo, Trento (Italy); Rondoni, L, E-mail: Livia.Conti@pd.infn.i [Dip. di Matematica, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy)

    2010-04-21

    The RareNoise project investigates non-equilibrium effects in gravitational wave detectors. We illustrate the physics behind the project and the planned project development, involving experimental, numerical and theoretical research.

  9. Investigation of Multiscale Non-equilibrium Flow Dynamics Under External Force Field

    CERN Document Server

    Xiao, Tianbai

    2016-01-01

    The multiple scale non-equilibrium gaseous flow behavior under external force field is investigated. Both theoretical analysis based on the kinetic model equation and numerical study are presented to demonstrate the dynamic effect of external force on the flow evolution, especially on the non-equilibrium heat flux. The current numerical experiment is based on the well-balanced unified gas-kinetic scheme (UGKS), which presents accurate solutions in the whole flow regime from the continuum Navier-Stokes solution to the transition and free molecular ones. The heat conduction in the non-equilibrium regime due to the external forcing term is quantitatively investigated. In the lid-driven cavity flow study, due to the external force field the density distribution inside cavity gets stratified and a multiscale non-equilibrium flow transport appears in a single gas dynamic system. With the increment of external forcing term, the flow topological structure changes dramatically, and the temperature gradient, shearing s...

  10. 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.

  11. Synthesis of calcium oxalate crystals in culture medium irradiated with non-equilibrium atmospheric-pressure plasma

    Science.gov (United States)

    Kurake, Naoyuki; Tanaka, Hiromasa; Ishikawa, Kenji; Nakamura, Kae; Kajiyama, Hiroaki; Kikkawa, Fumitaka; Mizuno, Masaaki; Yamanishi, Yoko; Hori, Masaru

    2016-09-01

    Octahedral particulates several tens of microns in size were synthesized in a culture medium irradiated through contact with a plume of non-equilibrium atmospheric-pressure plasma (NEAPP). The particulates were identified in the crystalline phase as calcium oxalate dihydrate (COD). The original medium contained constituents such as NaCl, d-glucose, CaCl2, and NaHCO3 but not oxalate or oxalic acid. The oxalate was clearly synthesized and crystallized in the medium as thermodynamically unstable COD crystals after the NEAPP irradiation.

  12. Fission fragment mass and angular distributions: Probes to study non-equilibrium fission

    Indian Academy of Sciences (India)

    R G Thomas

    2015-08-01

    Synthesis of heavy and superheavy elements is severely hindered by fission and fission-like processes. The probability of these fission-like, non-equilibrium processes strongly depends on the entrance channel parameters. This article attempts to summarize the recent experimental findings and classify the signatures of these non-equilibrium processes based on macroscopic variables. The importance of the sticking time of the dinuclear complex with respect to the equilibration times of various degrees of freedom is emphasized.

  13. Many-Body Quantum Electrodynamics Networks: Non-Equilibrium Condensed Matter Physics with Light

    OpenAIRE

    Hur, Karyn Le; Henriet, Loïc; Petrescu, Alexandru; Plekhanov, Kirill; Roux, Guillaume; Schiró, Marco

    2015-01-01

    We review recent developments concerning non-equilibrium quantum dynamics and many-body physics with light, in superconducting circuits and Josephson analogues. We start with quantum impurity models summarizing the effect of dissipation and of driving the system. We mention theoretical and experimental efforts to characterize these non-equilibrium quantum systems. We show how Josephson junction systems can implement the equivalent of the Kondo effect with microwave photons. The Kondo effect i...

  14. Experimental observation and computer simulation on non-equilibrium grain-boundary segregation kinetics of phosphorus

    Institute of Scientific and Technical Information of China (English)

    LI Li; LI Qing-fen; LIU Er-bao

    2005-01-01

    An experimental study and computer simulation on non-equilibrium grain-boundary segregation kinetics and the critical time for phosphorus in 12Cr1MoV steel(which is used in steam pipeline of ships)are put forward in this paper. The segregation level of phosphorus with solution temperature 1050℃ at the isothermal holding temperature of 540℃,have been measured at grain-boundaries. A non-equilibrium grain-boundary segregation kinetics curve of phosphorus is given. The critical time for phosphorus non-equilibrium grain-boundary segregation is about 500h at 540℃ for the experimental steel. When the holding time is longer than 1500h, non-equilibrium segregation disappears and the level of segregation reaches full equilibrium. The simulation using the kinetic equations of non-equilibrium grain-boundary segregation is in good accordance with the experimental observation for phosphorus in steel 12Cr1MoV. The non-equilibrium grain-boundary segregation kinetic model is therefore proved.

  15. 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 Nad-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 Nad-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.

  16. Non-equilibrium CO chemistry in the solar atmosphere

    CERN Document Server

    Ramos, A A; Carlsson, M; Cernicharo, J

    2003-01-01

    Investigating the reliability of the assumption of instantaneous chemical equilibrium (ICE) for calculating the CO number density in the solar atmosphere is of crucial importance for the resolution of the long-standing controversy over the existence of `cool clouds' in the chromosphere, and for determining whether the cool gas owes its existence to CO radiative cooling or to a hydrodynamical process. Here we report the first results of such an investigation in which we have carried out time-dependent gas-phase chemistry calculations in radiation hydrodynamical simulations of solar chromospheric dynamics. We show that while the ICE approximation turns out to be suitable for modeling the observed infrared CO lines at the solar disk center, it may substantially overestimate the `heights of formation' of strong CO lines synthesized close to the edge of the solar disk, especially concerning vigorous dynamic cases resulting from relatively strong photospheric disturbances. This happens because during the cool phase...

  17. Modeling hyperelasticity in non-equilibrium multiphase flows

    Science.gov (United States)

    Hank, Sarah; Favrie, Nicolas; Massoni, Jacques

    2017-02-01

    The aim of this article is the construction of a multiphase hyperelastic model. The Eulerian formulation of the hyperelasticity represents a system of 14 conservative partial differential equations submitted to stationary differential constraints. This model is constructed with an elegant approach where the specific energy is given in separable form. The system admits 14 eigenvalues with 7 characteristic eigenfields. The associated Riemann problem is not easy to solve because of the presence of 7 waves. The shear waves are very diffusive when dealing with the full system. In this paper, we use a splitting approach to solve the whole system using 3 sub-systems. This method reduces the diffusion of the shear waves while allowing to use a classical approximate Riemann solver. The multiphase model is obtained by adapting the discrete equations method. This approach involves an additional equation governing the evolution of a phase function relative to the presence of a phase in a cell. The system is integrated over a multiphase volume control. Finally, each phase admits its own equations system composed of three sub-systems. One and three dimensional test cases are presented.

  18. The stationary non-equilibrium plasma of cosmic-ray electrons and positrons

    Science.gov (United States)

    Tomaschitz, Roman

    2016-06-01

    The statistical properties of the two-component plasma of cosmic-ray electrons and positrons measured by the AMS-02 experiment on the International Space Station and the HESS array of imaging atmospheric Cherenkov telescopes are analyzed. Stationary non-equilibrium distributions defining the relativistic electron-positron plasma are derived semi-empirically by performing spectral fits to the flux data and reconstructing the spectral number densities of the electronic and positronic components in phase space. These distributions are relativistic power-law densities with exponential cutoff, admitting an extensive entropy variable and converging to the Maxwell-Boltzmann or Fermi-Dirac distributions in the non-relativistic limit. Cosmic-ray electrons and positrons constitute a classical (low-density high-temperature) plasma due to the low fugacity in the quantized partition function. The positron fraction is assembled from the flux densities inferred from least-squares fits to the electron and positron spectra and is subjected to test by comparing with the AMS-02 flux ratio measured in the GeV interval. The calculated positron fraction extends to TeV energies, predicting a broad spectral peak at about 1 TeV followed by exponential decay.

  19. A microscopic, non-equilibrium, statistical field theory for cosmic structure formation

    Science.gov (United States)

    Bartelmann, Matthias; Fabis, Felix; Berg, Daniel; Kozlikin, Elena; Lilow, Robert; Viermann, Celia

    2016-04-01

    Building upon the recent pioneering work by Mazenko and by Das and Mazenko, we develop a microscopic, non-equilibrium, statistical field theory for initially correlated canonical ensembles of classical microscopic particles obeying Hamiltonian dynamics. Our primary target is cosmic structure formation, where initial Gaussian correlations in phase space are believed to be set by inflation. We give an exact expression for the generating functional of this theory and work out suitable approximations. We specify the initial correlations by a power spectrum and derive general expressions for the correlators of the density and the response field. We derive simple closed expressions for the lowest-order contributions to the nonlinear cosmological power spectrum, valid for arbitrary wave numbers. We further calculate the bispectrum expected in this theory within these approximations and the power spectrum of cosmic density fluctuations to first order in the gravitational interaction, using a recent improvement of the Zel’dovich approximation. We show that, with a modification motivated by the adhesion approximation, the nonlinear growth of the density power spectrum found in numerical simulations of cosmic structure evolution is reproduced well to redshift zero and for arbitrary wave numbers even within first-order perturbation theory. Our results present the first fully analytic calculation of the nonlinear power spectrum of cosmic structures.

  20. Non-equilibrium relaxation in a two-dimensional stochastic lattice Lotka-Volterra model

    Science.gov (United States)

    Chen, Sheng; Täuber, Uwe C.

    We employ Monte Carlo simulations to study a stochastic Lotka-Volterra model on a two-dimensional square lattice with periodic boundary conditions. There are stable states when the predators and prey coexist. If the local prey carrying capacity is finite, there emerges an extinction threshold for the predator population at a critical value of the predation rate. We investigate the non-equilibrium relaxation of the predator density in the vicinity of this critical point. The expected power law dependence between the relaxation time and predation rate is observed (critical slowing down). The numerically determined associated critical exponents are in accord with the directed percolation universality class. Following a sudden predation rate change to its critical value, one observes critical aging for the predator density autocorrelation function with a universal scaling exponent. This aging scaling signature of the absorbing state phase transition emerges at significantly earlier times than stationary critical power laws, and could thus serve as an advanced indicator of the population's proximity to its extinction threshold. This research is supported by the U. S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering under Award DE-FG02-09ER46613.

  1. Ab initio lattice stability of fcc and hcp Fe-Mn random alloys.

    Science.gov (United States)

    Gebhardt, T; Music, D; Hallstedt, B; Ekholm, M; Abrikosov, I A; Vitos, L; Schneider, J M

    2010-07-28

    We have studied the lattice stability of face centred cubic (fcc) versus hexagonal close packed (hcp) Fe-Mn random alloys using ab initio calculations. In the calculations we considered the antiferromagnetic order of local moments, which for fcc alloys models the magnetic configuration of this phase at room temperature (below its Néel temperature) as well as their complete disorder, corresponding to paramagnetic fcc and hcp alloys. For both cases, the results are consistent with our thermodynamic calculations, obtained within the Calphad approach. For the room temperature magnetic configuration, the cross-over of the total energies of the hcp phase and the fcc phase of Fe-Mn alloys is at the expected Mn content, whereas for the magnetic configuration above the fcc Néel temperature, the hcp lattice is more stable within the whole composition range studied. The increase of the total energy difference between hcp and antiferromagnetic fcc due to additions of Mn as well as the stabilizing effect of antiferromagnetic ordering on the fcc phase are well displayed. These results are of relevance for understanding the deformation mechanisms of these random alloys.

  2. Non-equilibrium effects in high temperature chemical reactions

    Science.gov (United States)

    Johnson, Richard E.

    1987-01-01

    Reaction rate data were collected for chemical reactions occurring at high temperatures during reentry of space vehicles. The principle of detailed balancing is used in modeling kinetics of chemical reactions at high temperatures. Although this principle does not hold for certain transient or incubation times in the initial phase of the reaction, it does seem to be valid for the rates of internal energy transitions that occur within molecules and atoms. That is, for every rate of transition within the internal energy states of atoms or molecules, there is an inverse rate that is related through an equilibrium expression involving the energy difference of the transition.

  3. Non-equilibrium thermochemical heat storage in porous media

    DEFF Research Database (Denmark)

    Nagel, T.; Shao, H.; Singh, Ashok

    2013-01-01

    Thermochemical energy storage can play an important role in the establishment of a reliable renewable energy supply and can increase the efficiency of industrial processes. The application of directly permeated reactive beds leads to strongly coupled mass and heat transport processes that also...... compressible gas flow through a porous solid is presented along with its finite element implementation where solid-gas reactions occur and both phases have individual temperature fields. The model is embedded in the Theory of Porous Media and the derivation is based on the evaluation of the Clausius...

  4. Thermal non-equilibrium heat transfer in a porous cavity in the presence of bio-chemical heat source

    Directory of Open Access Journals (Sweden)

    Nazari Mohsen

    2015-01-01

    Full Text Available This paper is concerned with thermal non-equilibrium natural convection in a square cavity filled with a porous medium in the presence of a biomass which is transported in the cavity. The biomass can consume a secondary moving substrate. The physics of the presented problem is related to the analysis of heat and mass transfer in a composting process that controlled by internal heat generation. The intensity of the bio-heat source generated in the cavity is equal to the rate of consumption of the substrate by the biomass. It is assumed that the porous medium is homogeneous and isotropic. A two-field model that represents the fluid and solid phase temperature fields separately is used for energy equation. A simplified Monod model is introduced along with the governing equations to describe the consumption of the substrate by the biomass. In other word, the transient biochemical heat source which is dependent on a solute concentration is considered in the energy equations. Investigation of the biomass activity and bio-chemical heat generation in the case of thermal non-equilibrium assumption has not been considered in the literature and they are open research topics. The effects of thermal non-equilibrium model on heat transfer, flow pattern and biomass transfer are investigated. The effective parameters which have a direct impact on the generated bio-chemical heat source are also presented. The influences of the non-dimensional parameters such as fluid-to-solid conductivity ratio on the temperature distribution are presented.

  5. Non-equilibrium Statistical Mechanics Based on the Free Energy Landscape and Its Application to Glassy Systems

    Science.gov (United States)

    Odagaki, Takashi

    2017-08-01

    Extending the concept of the Ginzburg-Landau theory of phase transition to non-equilibrium systems, I present a free energy landscape (FEL) formalism of non-equilibrium statistical mechanics and show that the FEL formalism provides a framework for unified description of thermodynamic and dynamic properties of non-equilibrium systems. I first show that a conditional free energy Φ (T,V,N,{ Ri} ) can be defined as a function of configuration {Ri} of a given average position of atoms so that the probability of finding the configuration {Ri} is in proportion to \\exp [ - Φ (T,V,N,{ Ri} )/kBT]. Thermodynamic quantities in quasi-equilibrium states are given by their average over the configuration, and the temperature dependence of the FEL manifests itself in the temperature derivatives of thermodynamic quantities. As an example, I discuss the entropy and the specific heat, focusing on the contributions due to configuration and the temperature dependence of the FEL, and show that an additional contribution due to the temperature dependence of the FEL exists in the specific heat. I generalize the FEL formalism so that time dependent phenomena can be analyzed in a frame work similar to the time-dependent Ginzburg-Landau theory. I introduce a time-dependent probability function of configuration and describe its time dependence by a Fokker-Planck equation which guarantees that the probability function satisfies the initial condition and the proper long-time limit. The time dependence of a physical quantity is given by its average over the time-dependent distribution function. In order to show the robustness of the FEL formalism in explaining thermodynamic and dynamic effects in a unified frame work, I discuss several phenomena found in super-cooled liquids on the basis of the FEL formalism which includes glass transition singularities, slow relaxations, cooling rate dependence of the specific heat, the ac specific heat, temperature dependence of the crystallization time and

  6. Simulation of non-equilibrium many body electrons in RTD

    Directory of Open Access Journals (Sweden)

    A. H. Rezvani

    2001-06-01

    Full Text Available   We inspected the exact solution of double barrier quantum well. The choice of proper boundary conditions has been taken into account. We eveluated the mechanism of resonant in this device. The density correlation matrix was calculated by using the exact solution of the time-dependent generalized nonlinear Schrodinger equation in the presence of electron-electron interaction. The result shows that there is no correlation dependence among the electrons at the equilibrium between contact regions. After biasing, we have calculated the density correlation matrix in the transient and steady state. The results of our calculations show the oscillatory plasmon current in the state of transient, while in the steaby state the correlation among the phase of electrons observed to be oscillatory in the whole region of the device.

  7. Non-equilibrium thermochemical heat storage in porous media

    DEFF Research Database (Denmark)

    Nagel, T.; Shao, H.; Singh, Ashok

    2013-01-01

    Thermochemical energy storage can play an important role in the establishment of a reliable renewable energy supply and can increase the efficiency of industrial processes. The application of directly permeated reactive beds leads to strongly coupled mass and heat transport processes that also...... compressible gas flow through a porous solid is presented along with its finite element implementation where solid-gas reactions occur and both phases have individual temperature fields. The model is embedded in the Theory of Porous Media and the derivation is based on the evaluation of the Clausius......-Duhem inequality. Special emphasis is placed on the interphase coupling via mass, momentum and energy interaction terms and their effects are partially illustrated using numerical examples. Novel features of the implementation of the described model are verified via comparisons to analytical solutions...

  8. A non-equilibrium microscopic description of spallation

    CERN Document Server

    Napolitani, P

    2016-01-01

    We investigate the prompt emission of few intermediate-mass fragments in spallation reactions induced by protons and deuterons in the 1 GeV range. Such emission has a minor contribution to the total reaction cross section, but it may overcome evaporation and fission channels in the formation of light nuclides. The role of mean-field dynamics and phase-space fluctuations in these reactions is investigated through the Boltzmann-Langevin transport equation. We found that a process of frustrated fragmentation and re-aggregation is a prominent mechanism of production of IMFs which can not be assimilated to the statistical decay of a compound nucleus. Very interestingly, this process may yield a small number of IMF in the exit channel, which may even reduce to two, and be wrongly confused with ordinary asymmetric fission. This interpretation, inspired by nuclear-spallation experiments, can be generalised to heavy-ion collisions approaching the fragmentation threshold.

  9. Non Equilibrium Current Fluctuations in Stochastic Lattice Gases

    Science.gov (United States)

    Bertini, L.; Sole, A. De; Gabrielli, D.; Jona-Lasinio, G.; Landim, C.

    2006-04-01

    We study current fluctuations in lattice gases in the macroscopic limit extending the dynamic approach for density fluctuations developed in previous articles. More precisely, we establish a large deviation principle for a space-time fluctuation j of the empirical current with a rate functional I( j). We then estimate the probability of a fluctuation of the average current over a large time interval; this probability can be obtained by solving a variational problem for the functional I. We discuss several possible scenarios, interpreted as dynamical phase transitions, for this variational problem. They actually occur in specific models. We finally discuss the time reversal properties of I and derive a fluctuation relationship akin to the Gallavotti-Cohen theorem for the entropy production.

  10. Many-body quantum electrodynamics networks: Non-equilibrium condensed matter physics with light

    Science.gov (United States)

    Le Hur, Karyn; Henriet, Loïc; Petrescu, Alexandru; Plekhanov, Kirill; Roux, Guillaume; Schiró, Marco

    2016-10-01

    We review recent developments regarding the quantum dynamics and many-body physics with light, in superconducting circuits and Josephson analogues, by analogy with atomic physics. We start with quantum impurity models addressing dissipative and driven systems. Both theorists and experimentalists are making efforts towards the characterization of these non-equilibrium quantum systems. We show how Josephson junction systems can implement the equivalent of the Kondo effect with microwave photons. The Kondo effect can be characterized by a renormalized light frequency and a peak in the Rayleigh elastic transmission of a photon. We also address the physics of hybrid systems comprising mesoscopic quantum dot devices coupled with an electromagnetic resonator. Then, we discuss extensions to Quantum Electrodynamics (QED) Networks allowing one to engineer the Jaynes-Cummings lattice and Rabi lattice models through the presence of superconducting qubits in the cavities. This opens the door to novel many-body physics with light out of equilibrium, in relation with the Mott-superfluid transition observed with ultra-cold atoms in optical lattices. Then, we summarize recent theoretical predictions for realizing topological phases with light. Synthetic gauge fields and spin-orbit couplings have been successfully implemented in quantum materials and with ultra-cold atoms in optical lattices - using time-dependent Floquet perturbations periodic in time, for example - as well as in photonic lattice systems. Finally, we discuss the Josephson effect related to Bose-Hubbard models in ladder and two-dimensional geometries, producing phase coherence and Meissner currents. The Bose-Hubbard model is related to the Jaynes-Cummings lattice model in the large detuning limit between light and matter (the superconducting qubits). In the presence of synthetic gauge fields, we show that Meissner currents subsist in an insulating Mott phase. xml:lang="fr"

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

    Energy Technology Data Exchange (ETDEWEB)

    Dewar, Roderick [Unite de Bioclimatologie, INRA Centre de Bordeaux, BP 81, 33883 Villenave d' Ornon (France)

    2003-01-24

    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{sub {gamma}} of the underlying microscopic phase space trajectories {gamma} over a time interval of length {tau} satisfies p{sub {gamma}} {proportional_to} exp({tau}{sigma}{sub {gamma}}/2k{sub B}) where {sigma}{sub {gamma}} 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} {yields} {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 information theoretic grounds underlines their relevance to a broad class of stationary, non-equilibrium systems. In turn, the accumulating empirical evidence for these results lends support to Jaynes' formalism as a common predictive framework for equilibrium and non-equilibrium statistical mechanics.

  12. Interplay between Micro-Anisotropy and Macro-Isotropy on Evolution of Non-Equilibrium Morphology

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Non-equilibrium morphology has received much attention from both scientific and engineering points of view for its intricate pattern selection mechanisms and useful industrial application. Most study of non-equilibrium is about the metal, alloy and other simple system. The complex silicate system is rarely involved. However, silicate is very important in geosciences and ceramic industry. In this paper, two kinds of non-equilibrium crystal morphologies of silicate: dendrite of diopside and spherulite of plagioclase, were introduced. Combining with the other kinds of non-equilibrium morphologies, the characteristics of micro-macro and anisotropy-isotropy of the non-equilibrium morphologies were discussed. Dendrite of diopside is micro- and macro-anisotropic, spherulite of plagioclase is micro-anisotropic, but macro-isotropic, fractal of NH4Cl is also micro-anisotropic, but macro-isotropic, dense-branching morphology (DBM) formed in non-crystalline system is micro-and macro-isotropic. Based on the micro-macro interplay on the pattern formation, it is proposed that the interplay between micro-anisotropy of crystal structure vs macro-isotropy of undercooling in crystal growth system will control the morphological evolution. The nucleation rate related to the anisotropy for the morphological evolution was also discussed. The fact that diopside develops dendrite and plagioclase develop spherulite in our experiment is due to their structural anisotropy difference.

  13. Dynamic non-equilibrium wall-modeling for large eddy simulation at high Reynolds numbers

    Science.gov (United States)

    Kawai, Soshi; Larsson, Johan

    2013-01-01

    A dynamic non-equilibrium wall-model for large-eddy simulation at arbitrarily high Reynolds numbers is proposed and validated on equilibrium boundary layers and a non-equilibrium shock/boundary-layer interaction problem. The proposed method builds on the prior non-equilibrium wall-models of Balaras et al. [AIAA J. 34, 1111-1119 (1996)], 10.2514/3.13200 and Wang and Moin [Phys. Fluids 14, 2043-2051 (2002)], 10.1063/1.1476668: the failure of these wall-models to accurately predict the skin friction in equilibrium boundary layers is shown and analyzed, and an improved wall-model that solves this issue is proposed. The improvement stems directly from reasoning about how the turbulence length scale changes with wall distance in the inertial sublayer, the grid resolution, and the resolution-characteristics of numerical methods. The proposed model yields accurate resolved turbulence, both in terms of structure and statistics for both the equilibrium and non-equilibrium flows without the use of ad hoc corrections. Crucially, the model accurately predicts the skin friction, something that existing non-equilibrium wall-models fail to do robustly.

  14. NON-EQUILIBRIUM HELIUM IONIZATION IN AN MHD SIMULATION OF THE SOLAR ATMOSPHERE

    Energy Technology Data Exchange (ETDEWEB)

    Golding, Thomas Peter; Carlsson, Mats [Institute of Theoretical Astrophysics, University of Oslo, P.O. Box 1029 Blindern, NO-0315 Oslo (Norway); Leenaarts, Jorrit, E-mail: thomas.golding@astro.uio.no, E-mail: mats.carlsson@astro.uio.no, E-mail: jorrit.leenaarts@astro.su.se [Institute for Solar Physics, Department of Astronomy, Stockholm University, AlbaNova University Centre, SE-106 91 Stockholm (Sweden)

    2016-02-01

    The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilibrium hydrogen ionization by performing a 2D radiation-magnetohydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyα and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with local thermodynamic equilibrium (LTE) ionization shows that non-equilibrium helium ionization leads to higher temperatures in wavefronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behavior with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. Comparison of DEM curves computed from our models shows that non-equilibrium ionization leads to more radiating material in the temperature range 11–18 kK, compared to models with LTE helium ionization. We conclude that non-equilibrium helium ionization is important for the dynamics and thermal structure of the upper chromosphere and transition region. It might also help resolve the problem that intensities of chromospheric lines computed from current models are smaller than those observed.

  15. Non-equilibrium STLS approach to transport properties of single impurity Anderson model

    Science.gov (United States)

    Rezai, Raheleh; Ebrahimi, Farshad

    2014-04-01

    In this work, using the non-equilibrium Keldysh formalism, we study the effects of the electron-electron interaction and the electron-spin correlation on the non-equilibrium Kondo effect and the transport properties of the symmetric single impurity Anderson model (SIAM) at zero temperature by generalizing the self-consistent method of Singwi, Tosi, Land, and Sjolander (STLS) for a single-band tight-binding model with Hubbard type interaction to out of equilibrium steady-states. We at first determine in a self-consistent manner the non-equilibrium spin correlation function, the effective Hubbard interaction, and the double-occupancy at the impurity site. Then, using the non-equilibrium STLS spin polarization function in the non-equilibrium formalism of the iterative perturbation theory (IPT) of Yosida and Yamada, and Horvatic and Zlatic, we compute the spectral density, the current-voltage characteristics and the differential conductance as functions of the applied bias and the strength of on-site Hubbard interaction. We compare our spectral densities at zero bias with the results of numerical renormalization group (NRG) and depict the effects of the electron-electron interaction and electron-spin correlation at the impurity site on the aforementioned properties by comparing our numerical result with the order U2 IPT. Finally, we show that the obtained numerical results on the differential conductance have a quadratic universal scaling behavior and the resulting Kondo temperature shows an exponential behavior.

  16. Causal kinetic equation of non-equilibrium plasmas

    Directory of Open Access Journals (Sweden)

    R. A. Treumann

    2017-05-01

    Full Text Available Statistical plasma theory far from thermal equilibrium is subject to Liouville's equation, which is at the base of the BBGKY hierarchical approach to plasma kinetic theory, from which, in the absence of collisions, Vlasov's equation follows. It is also at the base of Klimontovich's approach which includes single-particle effects like spontaneous emission. All these theories have been applied to plasmas with admirable success even though they suffer from a fundamental omission in their use of the electrodynamic equations in the description of the highly dynamic interactions in many-particle conglomerations. In the following we extend this theory to taking into account that the interaction between particles separated from each other at a distance requires the transport of information. Action needs to be transported and thus, in the spirit of the direct-interaction theory as developed by Wheeler and Feynman (1945, requires time. This is done by reference to the retarded potentials. We derive the fundamental causal Liouville equation for the phase space density of a system composed of a very large number of charged particles. Applying the approach of Klimontovich (1967, we obtain the retarded time evolution equation of the one-particle distribution function in plasmas, which replaces Klimontovich's equation in cases when the direct-interaction effects have to be taken into account. This becomes important in all systems where the distance between two points |Δq| ∼ ct is comparable to the product of observation time and light velocity, a situation which is typical in cosmic physics and astrophysics.

  17. Evaporation from soils under diurnal boundary conditions: Experimental and modeling investigation to evaluate Non-equilibrium-based approaches

    Science.gov (United States)

    Trautz, Andrew; Smits, Kathleen; Cihan, Abdullah; Illangasekare, Tissa

    2013-04-01

    Evaporation from bare soil is a key component of the hydrologic cycle and the process primarily responsible for governing water and energy exchanges between the land and atmosphere. Despite its importance, there is still a great deal of uncertainty associated with our current understanding of this complex multiphase phenomenon. A common approach when modeling the movement of liquid water, water vapor and heat in the soil immediately below the land-atmosphere interface is to assume that water vapor concentration in air is always in equilibrium with liquid water. However, this equilibrium assumption is called into question by experiments about liquid/gas phase change in porous media suggesting that the equilibrium establishment is not instantaneous; a volatilization or condensation time is observed at the macroscopic scale under certain conditions. Introduction of such a non-equilibrium mass transfer relationship is based on the Hertz-Knudsen equation (HKE) derived from the kinetic theory of gases. Multiple formulations have been presented to represent the rate of phase change between water and vapor, many relying on empirical fitting parameters due to limited experimental data. The purpose of this work is to perform an unbiased comparison between various conceptual and mathematical formulations for non-equilibrium phase change on evaporation and develop appropriate numerical models to be used in simulations. The key to such a comparison is the availability of accurate data. As such data at the scale of interest is not possible to obtain in field settings, a unique two-dimensional cell apparatus was developed. The test cell was equipped with a network of sensors for automated and continuous monitoring of soil moisture, soil and air temperature and relative humidity, and wind velocity to generate precision data. A fully-coupled numerical model to solve the governing equations for heat, liquid water and water vapor transport in soil was developed. The code implements a

  18. Kinetics of low-temperature transitions and a reaction rate theory from non-equilibrium distributions

    Science.gov (United States)

    Aquilanti, Vincenzo; Coutinho, Nayara Dantas; Carvalho-Silva, Valter Henrique

    2017-03-01

    This article surveys the empirical information which originated both by laboratory experiments and by computational simulations, and expands previous understanding of the rates of chemical processes in the low-temperature range, where deviations from linearity of Arrhenius plots were revealed. The phenomenological two-parameter Arrhenius equation requires improvement for applications where interpolation or extrapolations are demanded in various areas of modern science. Based on Tolman's theorem, the dependence of the reciprocal of the apparent activation energy as a function of reciprocal absolute temperature permits the introduction of a deviation parameter d covering uniformly a variety of rate processes, from those where quantum mechanical tunnelling is significant and d 0, corresponding to the Pareto-Tsallis statistical weights: these generalize the Boltzmann-Gibbs weight, which is recovered for d = 0. It is shown here how the weights arise, relaxing the thermodynamic equilibrium limit, either for a binomial distribution if d > 0 or for a negative binomial distribution if d kinetics, where transport phenomena accelerate processes as the temperature increases; (ii) the sub-Arrhenius kinetics, where quantum mechanical tunnelling propitiates low-temperature reactivity; (iii) the anti-Arrhenius kinetics, where processes with no energetic obstacles are rate-limited by molecular reorientation requirements. Particular attention is given for case (i) to the treatment of diffusion and viscosity, for case (ii) to formulation of a transition rate theory for chemical kinetics including quantum mechanical tunnelling, and for case (iii) to the stereodirectional specificity of the dynamics of reactions strongly hindered by the increase of temperature. 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'.

  19. Non-equilibrium 1D many-body problems and asymptotic properties of Toeplitz determinants

    Energy Technology Data Exchange (ETDEWEB)

    Gutman, D B [Department of Physics, Bar Ilan University, Ramat Gan 52900 (Israel); Gefen, Yuval [Department of Condensed Matter Physics, Weizmann Institute of Science, Rehovot 76100 (Israel); Mirlin, A D [Institut fuer Nanotechnologie, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany)

    2011-04-22

    Non-equilibrium bosonization technique facilitates the solution of a number of important many-body problems out of equilibrium, including the Fermi-edge singularity, the tunneling spectroscopy and full counting statistics of interacting fermions forming a Luttinger liquid. We generalize the method to non-equilibrium hard-core bosons (Tonks-Girardeau gas) and establish interrelations between all these problems. The results can be expressed in terms of Fredholm determinants of the Toeplitz type. We analyze the long time asymptotics of such determinants, using Szego and Fisher-Hartwig theorems. Our analysis yields dephasing rates as well as power-law scaling behavior, with exponents depending not only on the interaction strength but also on the non-equilibrium state of the system.

  20. A non-equilibrium equation-of-motion approach to quantum transport utilizing projection operators.

    Science.gov (United States)

    Ochoa, Maicol A; Galperin, Michael; Ratner, Mark A

    2014-11-12

    We consider a projection operator approach to the non-equilibrium Green function equation-of-motion (PO-NEGF EOM) method. The technique resolves problems of arbitrariness in truncation of an infinite chain of EOMs and prevents violation of symmetry relations resulting from the truncation (equivalence of left- and right-sided EOMs is shown and symmetry with respect to interchange of Fermi or Bose operators before truncation is preserved). The approach, originally developed by Tserkovnikov (1999 Theor. Math. Phys. 118 85) for equilibrium systems, is reformulated to be applicable to time-dependent non-equilibrium situations. We derive a canonical form of EOMs, thus explicitly demonstrating a proper result for the non-equilibrium atomic limit in junction problems. A simple practical scheme applicable to quantum transport simulations is formulated. We perform numerical simulations within simple models and compare results of the approach to other techniques and (where available) also to exact results.

  1. Open Markov processes: A compositional perspective on non-equilibrium steady states in biology

    CERN Document Server

    Pollard, Blake S

    2016-01-01

    In recent work, Baez, Fong and the author introduced a framework for describing Markov processes equipped with a detailed balanced equilibrium as open systems of a certain type. These `open Markov processes' serve as the building blocks for more complicated processes. In this paper, we describe the potential application of this framework in the modeling of biological systems as open systems maintained away from equilibrium. We show that non-equilibrium steady states emerge in open systems of this type, even when the rates of the underlying process are such that a detailed balanced equilibrium is permitted. It is shown that these non-equilibrium steady states minimize a quadratic form which we call `dissipation.' In some circumstances, the dissipation is approximately equal to the rate of change of relative entropy plus a correction term. On the other hand, Prigogine's principle of minimum entropy production generally fails for non-equilibrium steady states. We use a simple model of membrane transport to illus...

  2. 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, ...

  3. Steady-State Density Functional Theory for Non-equilibrium Quantum Systems

    Science.gov (United States)

    Shuanglong, Liu

    Recently, electron transport properties of molecular junctions under finite bias voltages have attracted a lot of attention because of the potential application of molecular electronic devices. When a molecular junction is under zero bias voltage at zero temperature, it is in equilibrium ground state and all its properties can be solved by ground-state density functional theory (GS-DFT) where ground-state electron density determines everything. Under finite bias voltage, the molecular junction is in non-equilibrium steady state. According to Hershfield's non-equilibrium statistics, a system in non-equilibrium steady state corresponds to an effective equilibrium system. This correspondence provides the basis for the steady-state density functional theory (SS-DFT) which will be developed in this thesis. (Abstract shortened by UMI.).

  4. Effects of grid geometry on non-equilibrium dissipation in grid turbulence

    Science.gov (United States)

    Nagata, Koji; Saiki, Teppei; Sakai, Yasuhiko; Ito, Yasumasa; Iwano, Koji

    2017-01-01

    A total of 11 grids in four families, including single- and multi-scale grids, are tested to investigate the development and decay characteristics of grid-generated turbulence. Special attention has been focused on dissipation and non-equilibrium characteristics in the decay region. A wide non-equilibrium region is observed for fractal square grids with three and four iterations. The distributions of the Taylor microscale λ, integral length scale Lu, and dissipation coefficient C ɛ show that a simple combination of large and small grids does not reproduce elongated non-equilibrium regions as realized by the fractal square grid. On the other hand, a new kind of grid, quasi-fractal grids, in which the region of the smaller fractal elements ( N = 2 - 4 ) of the fractal square grid is replaced by regular grids, successfully reproduce a similar flow field and non-equilibrium nature to that seen in the fractal square grid case. This suggests that the combination of large square grid and inhomogeneously arranged smaller grids produces an elongated non-equilibrium region. The dissipation coefficient C ɛ is better collapsed using R e 0 = t 0 U ∞ / ν (where t0 is the thickness of the largest grid bar, U ∞ the inflow velocity, and ν the kinematic viscosity) as a global/inlet Reynolds number rather than R e M = M U ∞ / ν (where M is the mesh size) [P. C. Valente and J. C. Vassilicos, "Universal dissipation scaling for non-equilibrium turbulence," Phys. Rev. Lett. 108, 214503 (2012)].

  5. 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.

  6. 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

  7. Correlations of the density and of the current in non-equilibrium diffusive systems

    Science.gov (United States)

    Sadhu, Tridib; Derrida, Bernard

    2016-11-01

    We use fluctuating hydrodynamics to analyze the dynamical properties in the non-equilibrium steady state of a diffusive system coupled with reservoirs. We derive the two-time correlations of the density and of the current in the hydrodynamic limit in terms of the diffusivity and the mobility. Within this hydrodynamic framework we discuss a generalization of the fluctuation dissipation relation in a non-equilibrium steady state where the response function is expressed in terms of the two-time correlations. We compare our results to an exact solution of the symmetric exclusion process. This exact solution also allows one to directly verify the fluctuating hydrodynamics equation.

  8. Non-equilibrium Monte Carlo dynamics of the Sherrington-Kirkpatrick mean field spin glass model

    OpenAIRE

    Baldassarri, Andrea

    1996-01-01

    We present a numerical study of the non-equilibrium dynamics of the Sherrington-Kirkpatrick model. We analize the overlap distribution between the configurations visited at the time t and in particular its scaling behaviour with the size of the system. We find two different non-equilibrium dynamical regimes. The first is a proper Out of Equilibrium Regime, that is the relevant regime for the dynamics of an infinite system. The second is an Intermediate Regime that separates the Out of Equilib...

  9. 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

  10. Non-equilibrium surface tension of the vapour-liquid interface of active Lennard-Jones particles

    Science.gov (United States)

    Paliwal, Siddharth; Prymidis, Vasileios; Filion, Laura; Dijkstra, Marjolein

    2017-08-01

    We study a three-dimensional system of self-propelled Brownian particles interacting via the Lennard-Jones potential. Using Brownian dynamics simulations in an elongated simulation box, we investigate the steady states of vapour-liquid phase coexistence of active Lennard-Jones particles with planar interfaces. We measure the normal and tangential components of the pressure tensor along the direction perpendicular to the interface and verify mechanical equilibrium of the two coexisting phases. In addition, we determine the non-equilibrium interfacial tension by integrating the difference of the normal and tangential components of the pressure tensor and show that the surface tension as a function of strength of particle attractions is well fitted by simple power laws. Finally, we measure the interfacial stiffness using capillary wave theory and the equipartition theorem and find a simple linear relation between surface tension and interfacial stiffness with a proportionality constant characterized by an effective temperature.

  11. Equilibrium and non-equilibrium concentration fluctuations in a critical binary mixture.

    Science.gov (United States)

    Giavazzi, Fabio; Fornasieri, Alessandro; Vailati, Alberto; Cerbino, Roberto

    2016-10-01

    When a macroscopic concentration gradient is present across a binary mixture, long-ranged non-equilibrium concentration fluctuations (NCF) appear as a consequence of the coupling between the gradient and spontaneous equilibrium velocity fluctuations. Long-ranged equilibrium concentration fluctuations (ECF) may be also observed when the mixture is close to a critical point. Here we study the interplay between NCF and critical ECF in a near-critical mixture aniline/cyclohexane in the presence of a vertical concentration gradient. To this aim, we exploit a commercial optical microscope and a simple, custom-made, temperature-controlled cell to obtain simultaneous static and dynamic scattering information on the fluctuations. We first characterise the critical ECF at fixed temperature T above the upper critical solution temperature Tc, in the wide temperature range [Formula: see text] (°)C. In this range, we observe the expected critical scaling behaviour for both the scattering intensity and the mass diffusion coefficient and we determine the critical exponents [Formula: see text], [Formula: see text] and [Formula: see text], which are found in agreement with the 3D Ising values. We then study the system in the two-phase region (T T i. During the transient, a vertical diffusive mass flux is present that causes the onset of NCF, whose amplitude vanishes with time, as the flux goes to zero. We also study the time dependence of the equilibrium scattering intensity I eq, of the crossover wave vector q co and of the diffusion coefficient D during diffusion and find that all these quantities exhibit an exponential relaxation enslaved to the diffusive kinetics.

  12. Variational Principle for Non-Equilibrium Steady States of the XX Model

    CERN Document Server

    Matsui, T

    2003-01-01

    We show that non-equilibrium steady states of the one dimensional exactly solved XY model can be characterized by the variational principle of free energy of a long range interaction and that they cannot be a KMS state for any C$^*$-dynamical system.

  13. Review Of Non-Equilibrium Atmospheric Entry In-Flight Instrumentations

    Science.gov (United States)

    Hendrich, Georg; Fertig, Markus; Fasoulas, Stefanos; Lohle, Stefan; Lein, Sebastian; Preci, Arianit; Steinbeck, Andreas

    2011-05-01

    The paper gives a very brief overview on non- equilibrium in-flight instrumentation. However, the limitation of the paper length leads to the fact that the authors concentrate on examples in which they were involved either by participating in the development of the instrumentation or by the performance of data analysis.

  14. Research progress in non-equilibrium grain-boundary segregation and intergranular embrittlement

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    This paper is a summary of the research progress made by the author in the study of non-equilibrium grain-boundary segregation and intergranular embrittlement during the last 20 years. Some new concepts and new models in this research field are proposed, and their scientific backgrounds are introduced.

  15. A Non-Equilibrium Sediment Transport Model for Coastal Inlets and Navigation Channels

    Science.gov (United States)

    2011-01-01

    Navigation Channels Alejandro Sánchez† and Weiming Wu‡ ABSTRACT SANCHEZ, A. and WU, W., 2011. A Non-Equilibrium Sediment Transport Model...2009; accessed January 20, 2009). Nicholson, J.; Brøker, I.; Roelvink, J. A.; Price, D.; Tanguy, J. M., and Moreno , L., 1997. Intercomparison of

  16. Thermodynamics of Growth, Non-Equilibrium Thermodynamics of Bacterial Growth : The Phenomenological and the Mosaic Approach

    NARCIS (Netherlands)

    Westerhoff, Hans V.; Lolkema, Juke S.; Otto, Roel; Hellingwerf, K

    1982-01-01

    Microbial growth is analyzed in terms of mosaic and phenomenological non-equilibrium thermodynamics. It turns out that already existing parameters devised to measure bacterial growth, such as YATP, µ, and Qsubstrate, have as thermodynamic equivalents flow ratio, output flow and input flow. With this

  17. A general theory of non-equilibrium dynamics of lipid-protein fluid membranes

    DEFF Research Database (Denmark)

    Lomholt, Michael Andersen; Hansen, Per Lyngs; Miao, L.

    2005-01-01

    We present a general and systematic theory of non-equilibrium dynamics of multi-component fluid membranes, in general, and membranes containing transmembrane proteins, in particular. Developed based on a minimal number of principles of statistical physics and designed to be a meso...

  18. First-principles modelling of scanning tunneling microscopy using non-equilibrium Green's functions

    DEFF Research Database (Denmark)

    Lin, H.P.; Rauba, J.M.C.; Thygesen, Kristian Sommer

    2010-01-01

    a novel STM simulation scheme based on non-equilibrium Green's functions (NEGF) and Wannier functions which is both accurate and very efficient. The main novelty of the scheme compared to the Bardeen and Tersoff-Hamann approaches is that the coupling to the infinite (macroscopic) electrodes is taken...

  19. Non-equilibrium reacting gas flows kinetic theory of transport and relaxation processes

    CERN Document Server

    Nagnibeda, Ekaterina; Nagnibeda, Ekaterina

    2009-01-01

    This volume develops the kinetic theory of transport phenomena and relaxation processes in the flows of reacting gas mixtures. The theory is applied to the modeling of non-equilibrium flows behind strong shock waves, in the boundary layer, and in nozzles.

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

    Science.gov (United States)

    Khantuleva, Tatiana A.; Shalymov, Dmitry S.

    2017-03-01

    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'.

  1. Rheology modulated non-equilibrium fluctuations in time-dependent diffusion processes

    Science.gov (United States)

    Maity, Debonil; Bandopadhyay, Aditya; Chakraborty, Suman

    2016-11-01

    The effect of non-Newtonian rheology, manifested through a viscoelastic linearized Maxwell model, on the time-dependent non-equilibrium concentration fluctuations due to free diffusion as well as thermal diffusion of a species is analyzed theoretically. Contrary to the belief that non-equilibrium Rayleigh line is not influenced by viscoelastic effects, through rigorous calculations, we put forward the fact that viscoelastic effects do influence the non-equilibrium Rayleigh line, while the effects are absent for the equilibrium scenario. The non-equilibrium process is quantified through the concentration fluctuation auto-correlation function, also known as the structure factor. The analysis reveals that the effect of rheology is prominent for both the cases of free diffusion and thermal diffusion at long times, where the influence of rheology dictates not only the location of the peaks in concentration dynamic structure factors, but also the magnitudes; such peaks in dynamic structure factors are absent in the case of Newtonian fluid. At smaller times, for the case of free diffusion, presence of time-dependent peak(s) are observed, which are weakly dependent on the influence of rheology, a phenomenon which is absent in the case of thermal diffusion. Different regimes of the frequency dependent overall dynamic structure factor, depending on the interplay of the fluid relaxation time and momentum diffusivity, are evaluated. The static structure factor is not affected to a great extent for the case of free-diffusion and is unaffected for the case of thermal diffusion.

  2. 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.

  3. Weakly nonlocal non-equilibrium thermodynamics - variational principles and Second Law

    OpenAIRE

    Ván, P.

    2009-01-01

    A general, uniform, rigorous and constructive thermodynamic approach to weakly nonlocal non-equilibrium thermodynamics is reviewed. A method is given to construct and restrict the evolution equations of physical theories according to the Second Law of thermodynamics and considering weakly nonlocal constitutive state spaces. The evolution equations of internal variables, the classical irreversible thermodynamics and Korteweg fluids are treated.

  4. 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

    Impacts of non-equilibrium on results of percolation experiments on municipal solid waste incineration (MSWI) bottom ash were investigated. Three parallel column experiments were performed: two columns with undisturbed percolation and one column with two sets of 1-month-long flow interruptions...

  5. 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

  6. Kinetic and mesoscopic non-equilibrium description of the Ca2+ pump: a comparison

    NARCIS (Netherlands)

    Lervik, A.; Bedeaux, D.; Kjelstrup, S.H.

    2012-01-01

    We analyse the operation of the Ca2?-ATPase ion pump using a kinetic cycle diagram. Using the methodology of Hill, we obtain the cycle fluxes, entropy production and efficiency of the pump. We compare these results with a mesoscopic non-equilibrium description of the pump and show that the kinetic a

  7. Analysis list: hcp-6 [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available hcp-6 Embryo + ce10 http://dbarchive.biosciencedbc.jp/kyushu-u/ce10/target/hcp-6.1....tsv http://dbarchive.biosciencedbc.jp/kyushu-u/ce10/target/hcp-6.5.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/ce10/target/hcp...-6.10.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/ce10/colo/hcp-6.Embryo.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/ce10/colo/Embryo.gml ...

  8. Analysis list: hcp-4 [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available hcp-4 Embryo + ce10 http://dbarchive.biosciencedbc.jp/kyushu-u/ce10/target/hcp-4.1....tsv http://dbarchive.biosciencedbc.jp/kyushu-u/ce10/target/hcp-4.5.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/ce10/target/hcp...-4.10.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/ce10/colo/hcp-4.Embryo.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/ce10/colo/Embryo.gml ...

  9. Analysis of non-equilibrium phenomena in inductively coupled plasma generators

    Science.gov (United States)

    Zhang, W.; Lani, A.; Panesi, M.

    2016-07-01

    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.

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

    Science.gov (United States)

    Duchemin, Ivan; Jacquemin, Denis; Blase, Xavier

    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.

  11. Non-equilibrium statistical field theory for classical particles: Non-linear structure evolution with first-order interaction

    CERN Document Server

    Bartelmann, Matthias; Berg, Daniel; Kozlikin, Elena; Lilow, Robert; Viermann, Celia

    2014-01-01

    We calculate the power spectrum of density fluctuations in the statistical non-equilibrium field theory for classical, microscopic degrees of freedom to first order in the interaction potential. We specialise our result to cosmology by choosing appropriate initial conditions and propagators and show that the non-linear growth of the density power spectrum found in numerical simulations of cosmic structure evolution is reproduced well to redshift zero and for arbitrary wave numbers. The main difference of our approach to ordinary cosmological perturbation theory is that we do not perturb a dynamical equation for the density contrast. Rather, we transport the initial phase-space distribution of a canonical particle ensemble forward in time and extract any collective information from it at the time needed. Since even small perturbations of particle trajectories can lead to large fluctuations in density, our approach allows to reach high density contrast already at first order in the perturbations of the particle...

  12. Interface effect of magnetic properties in Ni nanoparticles with a hcp core and fcc shell structure.

    Science.gov (United States)

    Choo, Seongmin; Lee, Kyujoon; Jo, Younghun; Yoon, Seon-Mi; Choi, Jae-Young; Kim, Jea-Young; Park, Jea-Hoon; Lee, Kyung-Jin; Lee, Jong-Heun; Jung, Myung-Hwa

    2011-07-01

    We have fabricated hexagonal close-packed (hcp) Ni nanoparticles covered by a face-centered cubic (fcc) Ni surface layer by polyol method. The magnetic properties have been investigated as a function of temperature and applied magnetic field. The magnetic behavior reveals that the system should be divided magnetically into three distinct phases with different origins. The fcc Ni phase on the shell contributes to the superparamagnetism through a wide temperature range up to 360 K. The hcp Ni phase at the core is associated with antiferromagnetic nature below 12 K. These observations are in good agreement with the X-ray absorption spectroscopy and magnetic circular dichroism measurements. In our particular case, the unique hcp core and fcc shell structure gives rise to an additional anomaly at 20 K in the zero-field-cooled magnetization curve. Its position is barely affected by the magnetic field but its structure disappears above 30 kOe, showing a metamagnetic transition in the magnetization versus magnetic field curve. This new phase originates from the magnetic exchange at the interface between the hcp and fcc Ni sublattices.

  13. Experimental observations elucidating the mechanisms of structural bcc-hcp transformations in β-Ti alloys

    NARCIS (Netherlands)

    Van Bohemen, S.M.C.; Sietsma, J.; Van der Zwaag, S.

    2006-01-01

    The formation mechanisms of two hcp α phase morphologies in Ti-4.5Fe-6.8Mo-1.5Al have been investigated by optical microscopy (OM), atomic force microscopy (AFM), electron probe microanalysis (EPMA) and dilatometry. At relatively high temperatures primary α forms predominantly on prior bcc β grain

  14. Large difference in the elastic properties of fcc and hcp hard-sphere crystals

    NARCIS (Netherlands)

    Pronk, S.; Frenkel, D.

    2003-01-01

    We report a numerical calculation of the elastic constants of the fcc and hcp crystal phases of monodisperse hard-sphere colloids. Surprisingly, some of these elastic constants are very different (up to 20%), even though the free-energy, pressure, and bulk compressibility of the two crystal structur

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

    Energy Technology Data Exchange (ETDEWEB)

    Stout, R B

    2001-04-01

    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

  16. Polymeric Graphitic Carbon Nitride Doped with CuO Dispersed on Dealuminated Clinoptilolite (CuO/HCP: Synthesis and Characterisation

    Directory of Open Access Journals (Sweden)

    Saheed Olalekan Sanni

    2015-01-01

    Full Text Available CuO dispersed on dealuminated clinoptilolite (CuO/HCP and further doped with polymeric graphitic carbon nitride (CuO/HCP-g-C3N4 was synthesized through 2 facile routes: precipitation method for CuO/HCP and impregnation through ultrasonication method for the hybrid composite material. The hybrid composite material crystalline phase, surface morphology, and structural and thermal properties were investigated by X-ray diffraction (XRD, scanning electron microscopy (SEM, energy-dispersive X-ray analysis (EDAX, Fourier transform infrared spectroscopy (FTIR, and thermal analysis. The formation of the hybrid composite material was confirmed by XRD showing crystalline phase of CuO and g-C3N4 present on the surface of dealuminated clinoptilolite (HCP. SEM images analysis depicts no aggregation of the mixed metal oxide semiconductor nanoparticles at the center of HCP. The hybrid composite material, CuO/HCP-g-C3N4, with a good homogeneously dispersed metal oxide conductor having excellent catalytic activities has been synthesized.

  17. A fast Eulerian multiphase flow model for volcanic ash plumes: turbulence, heat transfer and particle non-equilibrium dynamics.

    Science.gov (United States)

    Cerminara, Matteo; Esposti Ongaro, Tomaso; Carlo Berselli, Luigi

    2014-05-01

    We have developed a compressible multiphase flow model to simulate the three-dimensional dynamics of turbulent volcanic ash plumes. The model describes the eruptive mixture as a polydisperse fluid, composed of different types of gases and particles, treated as interpenetrating Eulerian phases. Solid phases represent the discrete ash classes into which the total granulometric spectrum is discretized, and can differ by size and density. The model is designed to quickly and accurately resolve important physical phenomena in the dynamics of volcanic ash plumes. In particular, it can simulate turbulent mixing (driving atmospheric entrainment and controlling the heat transfer), thermal expansion (controlling the plume buoyancy), the interaction between solid particles and volcanic gas (including kinetic non-equilibrium effects) and the effects of compressibility (over-pressured eruptions and infrasonic measurements). The model is based on the turbulent dispersed multiphase flow theory for dilute flows (volume concentration <0.001, implying that averaged inter-particle distance is larger than 10 diameters) where particle collisions are neglected. Moreover, in order to speed up the code without losing accuracy, we make the hypothesis of fine particles (Stokes number <0.2 , i.e., volcanic ash particles finer then a millimeter), so that we are able to consider non-equilibrium effects only at the first order. We adopt LES formalism (which is preferable in transient regimes) for compressible flows to model the non-linear coupling between turbulent scales and the effect of sub-grid turbulence on the large-scale dynamics. A three-dimensional numerical code has been developed basing on the OpenFOAM computational framework, a CFD open source parallel software package. Numerical benchmarks demonstrate that the model is able to capture important non-equilibrium phenomena in gas-particle mixtures, such as particle clustering and ejection from large-eddy turbulent structures, as well

  18. Optimal response to non-equilibrium disturbances under truncated Burgers-Hopf dynamics

    CERN Document Server

    Thalabard, Simon

    2016-01-01

    We model and compute the average response of truncated Burgers-Hopf dynamics to finite perturbations away from the Gibbs equipartition energy spectrum using a dynamical optimization framework recently conceptualized in a series of papers. Non-equilibrium averages are there approximated in terms of geodesic paths in probability space that best-fit the Liouvillean dynamics over a family of quasi-equilibrium trial densities. By recasting the geodesic principle as an optimal control problem, we solve numerically for the non-equilibrium responses using an augmented Lagrangian, non-linear conjugate gradient descent method. For moderate perturbations, we find an excellent agreement between the optimal predictions and the direct numerical simulations of the truncated Burgers-Hopf dynamics. In this near-equilibrium regime, we argue that the optimal response theory provides an approximate yet predictive counterpart to fluctuation-dissipation identities.

  19. Effect of dislocation configuration on non-equilibrium boron segregation during cooling

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Different densities and configurations of crystal defects were obtained in an austenitic Fe-30%Ni alloy and an ultra low carbon bainitic (ULCB) alloy by undergoing different deformations and annealing treatments at high temperatures. Boron segregation on grain boundaries and subgrain boundaries during air-cooling were revealed by means of the particle tracking autoradiography technique. It is found that non-equilibrium segregation is resisted in deformed grains after recovery and polygonization, boron-depleted zones seem to be quite clear in recrystallized grains than those in deformed original grains during cooling. Subgrain boundaries and polygonized dislocation cells have a significant effect on non-equilibrium boron segregation during the air-cooling. The results implicates that dislocation configuration is a more important factor affecting boron segregation at grain boundaries rather than the density of defects itself in the grain.

  20. Non-equilibrium behaviour in coacervate-based protocells under electric-field-induced excitation

    Science.gov (United States)

    Yin, Yudan; Niu, Lin; Zhu, Xiaocui; Zhao, Meiping; Zhang, Zexin; Mann, Stephen; Liang, Dehai

    2016-02-01

    Although numerous strategies are now available to generate rudimentary forms of synthetic cell-like entities, minimal progress has been made in the sustained excitation of artificial protocells under non-equilibrium conditions. Here we demonstrate that the electric field energization of coacervate microdroplets comprising polylysine and short single strands of DNA generates membrane-free protocells with complex, dynamical behaviours. By confining the droplets within a microfluidic channel and applying a range of electric field strengths, we produce protocells that exhibit repetitive cycles of vacuolarization, dynamical fluctuations in size and shape, chaotic growth and fusion, spontaneous ejection and sequestration of matter, directional capture of solute molecules, and pulsed enhancement of enzyme cascade reactions. Our results highlight new opportunities for the study of non-equilibrium phenomena in synthetic protocells, provide a strategy for inducing complex behaviour in electrostatically assembled soft matter microsystems and illustrate how dynamical properties can be activated and sustained in microcompartmentalized media.

  1. Stochastic linearization of turbulent dynamics of dispersive waves in equilibrium and non-equilibrium state

    Science.gov (United States)

    Jiang, Shixiao W.; Lu, Haihao; Zhou, Douglas; Cai, David

    2016-08-01

    Characterizing dispersive wave turbulence in the long time dynamics is central to understanding of many natural phenomena, e.g., in atmosphere ocean dynamics, nonlinear optics, and plasma physics. Using the β-Fermi-Pasta-Ulam nonlinear system as a prototypical example, we show that in thermal equilibrium and non-equilibrium steady state the turbulent state even in the strongly nonlinear regime possesses an effective linear stochastic structure in renormalized normal variables. In this framework, we can well characterize the spatiotemporal dynamics, which are dominated by long-wavelength renormalized waves. We further demonstrate that the energy flux is nearly saturated by the long-wavelength renormalized waves in non-equilibrium steady state. The scenario of such effective linear stochastic dynamics can be extended to study turbulent states in other nonlinear wave systems.

  2. Non-equilibrium helium ionization in an MHD simulation of the solar atmosphere

    CERN Document Server

    Golding, Thomas Peter; Carlsson, Mats

    2015-01-01

    The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilbrium hydrogen ionization by performing a 2D radiation-magneto-hydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyman-$\\alpha$ and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with LTE ionization shows that non-equilibrium helium ionization leads to higher temperatures in wave fronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behaviour with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. ...

  3. Numerical investigation of non-equilibrium effects in hypersonic turbulent boundary layers

    Science.gov (United States)

    Kim, Pilbum; Kim, John; Zhong, Xiaolin; Eldredge, Jeff

    2014-11-01

    Direct numerical simulations of a spatially developing hypersonic boundary layer have been conducted in order to investigate thermal and chemical non-equilibrium effects in a hypersonic turbulent boundary layer. Two different flows, pure oxygen and pure nitrogen flows with specific total enthalpy, h0 ,O2 = 9 . 5017 MJ/kg and h0 ,N2 = 19 . 1116 MJ/kg, respectively, have been considered. The boundary edge conditions were obtained from a separate calculation of a flow over a blunt wedge at free-stream Mach numbers M∞ ,O2 = 15 and M∞ ,N2 = 20 . The inflow conditions were obtained from a simulation of a turbulent boundary layer of a perfect gas. Non-equilibrium effects on turbulence statistics and near-wall turbulence structures were examined by comparing with those obtained in a simulation of the same boundary layer with a perfect-gas assumption.

  4. From tunneling to contact in a magnetic atom: The non-equilibrium Kondo effect

    Science.gov (United States)

    Choi, Deung-Jang; Abufager, Paula; Limot, Laurent; Lorente, Nicolás

    2017-03-01

    A low-temperature scanning tunneling microscope was employed to study the differential conductance in an atomic junction formed by an adsorbed Co atom on a Cu(100) surface and a copper-covered tip. A zero-bias anomaly (ZBA) reveals spin scattering off the Co atom, which is assigned to a Kondo effect. The ZBA exhibits a characteristic asymmetric lineshape when electrons tunnel between tip and sample, while upon the tip-Co contact it symmetrizes and broadens. Through density functional theory calculations and the non-equilibrium non-crossing approximation, we show that the lineshape broadening is mainly a consequence of the additional coupling to the tip, while non-equilibrium effects only modify the large-bias tails of the ZBA.

  5. The molecular photo-cell: quantum transport and energy conversion at strong non-equilibrium.

    Science.gov (United States)

    Ajisaka, Shigeru; Žunkovič, Bojan; Dubi, Yonatan

    2015-02-09

    The molecular photo-cell is a single molecular donor-acceptor complex attached to electrodes and subject to external illumination. Besides the obvious relevance to molecular photo-voltaics, the molecular photo-cell is of interest being a paradigmatic example for a system that inherently operates in out-of-equilibrium conditions and typically far from the linear response regime. Moreover, this system includes electrons, phonons and photons, and environments which induce coherent and incoherent processes, making it a challenging system to address theoretically. Here, using an open quantum systems approach, we analyze the non-equilibrium transport properties and energy conversion performance of a molecular photo-cell, including both coherent and incoherent processes and treating electrons, photons, and phonons on an equal footing. We find that both the non-equilibrium conditions and decoherence play a crucial role in determining the performance of the photovoltaic conversion and the optimal energy configuration of the molecular system.

  6. Scaling approach to quantum non-equilibrium dynamics of many-body systems

    Energy Technology Data Exchange (ETDEWEB)

    Gritsev, Vladimir; Barmettler, Peter [Physics Department, University of Fribourg, Chemin du Musee 3, 1700 Fribourg (Switzerland); Demler, Eugene, E-mail: vladimir.gritsev@unifr.c [Lyman Laboratory of Physics, Physics Department, Harvard University, 17 Oxford Street, Cambridge, MA 02138 (United States)

    2010-11-15

    Understanding the non-equilibrium quantum dynamics of many-body systems is one of the most challenging problems in modern theoretical physics. While numerous approximate and exact solutions exist for systems in equilibrium, examples of non-equilibrium dynamics of many-body systems that allow reliable theoretical analysis are few and far between. In this paper, we discuss a broad class of time-dependent interacting systems subject to external linear and parabolic potentials, for which the many-body Schroedinger equation can be solved using a scaling transformation. We demonstrate that scaling solutions exist for both local and non-local interactions, and derive appropriate self-consistency equations. We apply this approach to several specific experimentally relevant examples of interacting bosons in one and two dimensions. As an intriguing result, we find that weakly and strongly interacting Bose gases expanding from a parabolic trap can exhibit very similar dynamics.

  7. Asymptotic Solutions of the Kinetic Boltzmann Equation, Multicomponent Non-equilibrium Gas Dynamics and Turbulence

    CERN Document Server

    Serov, S A

    2013-01-01

    In the article correct method for the kinetic Boltzmann equation asymptotic solution is formulated, the Hilbert's and Enskog's methods are discussed. The equations system of multicomponent non-equilibrium gas dynamics is derived, that corresponds to the first order in the approximate (asymptotic) method for solution of the system of kinetic Boltzmann equations. It is shown, that the velocity distribution functions of particles, obtained by the proposed method and by Enskog's method, within Enskog's approach, are equivalent up to the infinitesimal first order terms of the asymptotic expansion, but, generally speaking, differ in the next order. Interpretation of turbulent gas flow is proposed, as stratified on components gas flow, which is described by the derived equations system of multicomponent non-equilibrium gas dynamics.

  8. Lyapunov Functions, Stationary Distributions, and Non-equilibrium Potential for Reaction Networks

    DEFF Research Database (Denmark)

    Anderson, David F; Craciun, Gheorghe; Gopalkrishnan, Manoj;

    2015-01-01

    We consider the relationship between stationary distributions for stochastic models of reaction systems and Lyapunov functions for their deterministic counterparts. Specifically, we derive the well-known Lyapunov function of reaction network theory as a scaling limit of the non-equilibrium potent......We consider the relationship between stationary distributions for stochastic models of reaction systems and Lyapunov functions for their deterministic counterparts. Specifically, we derive the well-known Lyapunov function of reaction network theory as a scaling limit of the non......-equilibrium potential of the stationary distribution of stochastically modeled complex balanced systems. We extend this result to general birth-death models and demonstrate via example that similar scaling limits can yield Lyapunov functions even for models that are not complex or detailed balanced, and may even have...

  9. Effect of Non-Equilibrium Condensation of Moist Air on Unsteady Behaviour of Shock Waves around a Circular Arc Blade

    Institute of Scientific and Technical Information of China (English)

    Shigeru MATSUO; Kenbu TERAMOTO; Ashraful ALAM; Toshiaki SETOGUCHI; Heuy Dong KIM; Shen YU

    2007-01-01

    The unsteady phenomena in the transonic flow around airfoils are observed in the flow field of fan, compressor blades and butterfly valves, and this often causes serious problems such as the aeroacoustic noise, the vibration. In the transonic or supersonic flow where vapour is contained in the main flow, the rapid expansion of the flow may give rise to a non-equilibrium condensation. However, the effect of non-equilibrium condensation on the transonic internal flows around the airfoil has not yet been clarified satisfactorily. In the present study, the effect of non-equilibrium condensation of moist air on the self-excited shock wave oscillation on a circular arc blade was investigated numerically. The results showed that in the case with non-equilibrium condensation, frequencies of the flow oscillation became smaller than those without the non-equilibrium condensation.

  10. NON-EQUILIBRIUM STATIONARY STATE IN CHEMICAL REACTION OF SiO2/Fe AT INTERFACE OF SLAG/METAL AND ITS STABILITY DURING ARC WELDING

    Institute of Scientific and Technical Information of China (English)

    LI Xiaoquan; DU Zeyu; YANG Xuguang

    2007-01-01

    For characteristics of open and far from thermodynamic equilibrium in welding chemical reaction, a new kind of quantitative method, which is used to analyze direction and extent for chemical reaction of SiO2/Fe during quasi-steady state period, is introduced with the concept of non-equilibrium stationary state. The main idea is based on thermodynamic driving forces, which result in non-zero thermodynamic fluxes and lead to chemical reaction far away from thermodynamic equilibrium. There exists certain dynamic equilibrium relationship between rates of diffusion fluxes in liquid phase of reactants or products and the rate equation of chemical reaction when welding is in quasi-steady state. As result of this, a group of non-linear equations containing concentrations of all substances at interface of slag/liquid-metal may be established. Moreover the stability of this non-equilibrium stationary state is discussed using dissipative structure theory and it is concluded theoretically that this non-equilibrium stationary state for welding chemical reaction is of stability.

  11. Multiple-relaxation-time lattice Boltzmann model for convection heat transfer in porous media under local thermal non-equilibrium condition

    CERN Document Server

    Liu, Q

    2016-01-01

    In this paper, a multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is proposed for convection heat transfer in porous media under local thermal non-equilibrium (LTNE) condition. The model is constructed within the framework of the three-distribution-function approach: two temperature-based MRT-LB equations are proposed for the temperature fields of fluid and solid phases in addition to the MRT-LB equation of a density distribution function for the velocity field described by the generalized non-Darcy model. The thermal non-equilibrium effects are incorporated into the model by adding source terms into the temperature-based MRT-LB equations. Moreover, the discrete lattice effects are considered in the introduction of source terms into the temperature-based MRT-LB equations. The source terms accounting for the thermal non-equilibrium effects are simple and the model retains the inherent features of the standard LB method. Numerical results demonstrate that the proposed model can be served as an accura...

  12. Koppe's Work of 1948: A fundamental for non-equilibrium rate of particle production

    CERN Document Server

    Tawfik, Abdel Nasser

    2013-01-01

    In 1948, Koppe formulated an almost complete recipe for statistical-thermal models including particle production, formation and decay of resonances, temporal and thermal evolution of the interacting system, statistical approaches and equilibrium condition in final state of the nuclear interaction. As the rate of particle production was one of the basic assumptions, recalling Koppe's work would be an essential input to be involved in the statistical prediction of non-equilibrium particle production in recent and future ultra-relativistic collisions.

  13. Electrolytes supramolecular interactions and non-equilibrium phenomena in concentrated solutions

    CERN Document Server

    Aseyev, Georgii Georgievich

    2014-01-01

    Electrolyte solutions play a key role in traditional chemical industry processes as well as other sciences such as hydrometallurgy, geochemistry, and crystal chemistry. Knowledge of electrolyte solutions is also key in oil and gas exploration and production, as well as many other environmental engineering endeavors. Until recently, a gap existed between the electrolyte solution theory dedicated to diluted solutions, and the theory, practice, and technology involving concentrated solutions.Electrolytes: Supramolecular Interactions and Non-Equilibrium Phenomena in Concentrated Solutions addresse

  14. Vibrational non-equilibrium in the hydrogen-oxygen reaction. Comparison with experiment

    Science.gov (United States)

    Skrebkov, Oleg V.

    2015-03-01

    A theoretical model is proposed for the chemical and vibrational kinetics of hydrogen oxidation based on consistent accounting of the vibrational non-equilibrium of the HO2 radical that forms as a result of the bimolecular recombination H+O2 → HO2. In the proposed model, the chain branching H+O2 = O+OH and inhibiting H+O2+M = HO2+M formal reactions are treated (in the terms of elementary processes) as a single multi-channel process of forming, intramolecular energy redistribution between modes, relaxation, and unimolecular decay of the comparatively long-lived vibrationally excited HO2 radical, which is able to react and exchange energy with the other components of the mixture. The model takes into account the vibrational non-equilibrium of the starting (primary) H2 and O2 molecules, as well as the most important molecular intermediates HO2, OH, O2(1Δ), and the main reaction product H2O. It is shown that the hydrogen-oxygen reaction proceeds in the absence of vibrational equilibrium, and the vibrationally excited HO2(v) radical acts as a key intermediate in a fundamentally important chain branching process and in the generation of electronically excited species O2(1Δ), O(1D), and OH(2Σ+). The calculated results are compared with the shock tube experimental data for strongly diluted H2-O2 mixtures at 1000 reaction is especially non-equilibrium, and the vibrational non-equilibrium of the HO2 radical is the essence of this process. The quantitative estimation of the vibrational relaxation characteristic time of the HO2 radical in its collisions with H2 molecules has been obtained as a result of the comparison of different experimental data on induction time measurements with the relevant calculations.

  15. Non-equilibrium thermodynamics of dark energy on the power-law entropy corrected apparent horizon

    CERN Document Server

    Farooq, M Umar

    2011-01-01

    We investigate the Friedmann-Robertson-Walker (FRW) universe (containing dark energy) as a non-equilibrium (irreversible) thermodynamical system by considering the power-law correction to the horizon entropy. By taking power-law entropy area law which appear in dealing with the entanglement of quantum fields in and out the horizon, we determine the power-law entropy corrected apparent horizon of the FRW universe.

  16. Energy Conversion in High Enthalpy Flows and Non-equilibrium Plasmas

    Science.gov (United States)

    2014-01-01

    energy transfer processes that figure in the study and development of high power gas lasers . Non-equilibrium is defined here as occurring in a fluid...involves the development of a high power laser using carbon monoxide produced by reacting entrained air with carbon. The laser is to develop a total...nitric oxide planar laser induced fluorescence (NO PLIF), high frame rate nitric dioxide molecular tagging velocimetry (NO2 MTV), picosecond

  17. Improvements on non-equilibrium and transport Green function techniques: The next-generation TRANSIESTA

    DEFF Research Database (Denmark)

    Papior, Nick Rübner; Lorente, Nicolás; Frederiksen, Thomas

    2017-01-01

    We present novel methods implemented within the non-equilibrium Green function code (NEGF) TRANSIESTA based on density functional theory (DFT). Our flexible, next-generation DFT–NEGF code handles devices with one or multiple electrodes (Ne≥1) with individual chemical potentials and electronic tem...... of a projected Hamiltonian, and fast inversion algorithms for large-scale simulations easily exceeding 106 atoms on workstation computers. The new features of both codes are demonstrated and bench-marked for relevant test systems....

  18. Entropy production in non-equilibrium systems described by the generalized Langevin equation

    Science.gov (United States)

    Sevilla, Francisco J.; Piña-Perez, Omar

    2014-03-01

    The generalized Langevin equation for a charged particle under the influence of time-dependent external fields, is employed to study the effects of non-Markovian dissipative terms in the entropy production of non-equilibrium states exhibiting non-zero mass flux. We present results for the case in which the fluctuation-dissipation relation holds. FJS and OPP acknowledge financial support from PAPIIT-IN113114 and PAEP-UNAM respectively.

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

    Science.gov (United States)

    2016-02-29

    effects are described based on a hybrid State-to-State (StS) approach. A multi-temperature formulation is used to account for thermal non-equilibrium...for Inductively Coupled Radio-Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State...usually obtained through quantum chemistry calculations51–56 or through phenomenological models providing a simplified descrip- tion of the kinetic

  20. An ab initio Non-Equilibrium Green Function Approach to Charge Transport: Dithiolethine

    Institute of Scientific and Technical Information of China (English)

    Alexander Schnurpfeil; SONG Bo; Martin Albrecht

    2006-01-01

    @@ We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wavefunction-based full ab initio description of the central region of the junction combined with a tight binding approximation for the electrodes in the frame of the Keldysh Green function formalism. Our procedure is demonstrated for a dithiolethine molecule located between silver electrodes. The main conducting channel is identified and the full current-voltage characteristic is calculated.

  1. Mechanical responses and stress fluctuations of a supercooled liquid in a sheared non-equilibrium state.

    Science.gov (United States)

    Mizuno, H; Yamamoto, R

    2012-04-01

    A steady shear flow can drive supercooled liquids into a non-equilibrium state. Using molecular dynamics simulations under steady shear flow superimposed with oscillatory shear strain for a probe, non-equilibrium mechanical responses are studied for a model supercooled liquid composed of binary soft spheres. We found that even in the strongly sheared situation, the supercooled liquid exhibits surprisingly isotropic responses to oscillating shear strains applied in three different components of the strain tensor. Based on this isotropic feature, we successfully constructed a simple two-mode Maxwell model that can capture the key features of the storage and loss moduli, even for highly non-equilibrium state. Furthermore, we examined the correlation functions of the shear stress fluctuations, which also exhibit isotropic relaxation behaviors in the sheared non-equilibrium situation. In contrast to the isotropic features, the supercooled liquid additionally demonstrates anisotropies in both its responses and its correlations to the shear stress fluctuations. Using the constitutive equation (a two-mode Maxwell model), we demonstrated that the anisotropic responses are caused by the coupling between the oscillating strain and the driving shear flow. Due to these anisotropic responses and fluctuations, the violation of the fluctuation-dissipation theorem (FDT) is distinct for different components. We measured the magnitude of this violation in terms of the effective temperature. It was demonstrated that the effective temperature is notably different between different components, which indicates that a simple scalar mapping, such as the concept of an effective temperature, oversimplifies the true nature of supercooled liquids under shear flow. An understanding of the mechanism of isotropies and anisotropies in the responses and fluctuations will lead to a better appreciation of these violations of the FDT, as well as certain consequent modifications to the concept of an

  2. Non-equilibrium Thermodynamics and the Production of Entropy Life, Earth, and Beyond

    CERN Document Server

    Kleidon, Axel

    2005-01-01

    The present volume studies the application of concepts from non-equilibrium thermodynamics to a variety of research topics. Emphasis is on the Maximum Entropy Production (MEP) principle and applications to Geosphere-Biosphere couplings. Written by leading researchers form a wide range of background, the book proposed to give a first coherent account of an emerging field at the interface of thermodynamics, geophysics and life sciences.

  3. Search for a non-equilibrium plasma in the merging galaxy cluster Abell 754

    Science.gov (United States)

    Inoue, Shota; Hayashida, Kiyoshi; Ueda, Shutaro; Nagino, Ryo; Tsunemi, Hiroshi; Koyama, Katsuji

    2016-06-01

    Abell 754 is a galaxy cluster in which an ongoing merger is evident on the plane of the sky, from the southeast to the northwest. We study the spatial variation of the X-ray spectra observed with Suzaku along the merging direction, centering on the Fe Ly α/Fe He α line ratio to search for possible deviation from ionization equilibrium. Fitting with a single-temperature collisional non-equilibrium plasma model shows that the electron temperature increases from the southeast to the northwest. The ionization parameter is consistent with that in equilibrium (net > 1013 s cm-3) except for the specific region with the highest temperature (kT=13.3_{-1.1}^{+1.4}keV) where n_et=10^{11.6_{-1.7}^{+0.6}}s cm-3. The elapsed time from the plasma heating estimated from the ionization parameter is 0.36-76 Myr at the 90% confidence level. This timescale is quite short but consistent with the traveling time of a shock to pass through that region. We thus interpret that the non-equilibrium ionization plasma in Abell 754 observed is a remnant of the shock heating in the merger process. However, we note that the X-ray spectrum of the specific region where the non-equilibrium is found can also be fitted with a collisional ionization plasma model with two temperatures, low kT=4.2^{+4.2}_{-1.5}keV and very high kT >19.3 keV. The very high temperature component is alternatively fitted with a power-law model. Either of these spectral models is interpreted as a consequence of the ongoing merger process as in the case of the non-equilibrium ionization plasma.

  4. AC Power Consumption of Single-Walled Carbon Nanotube Interconnects: Non-Equilibrium Green's Function Simulation

    Science.gov (United States)

    Yamamoto, Takahiro; Sasaoka, Kenji; Watanabe, Satoshi

    2012-04-01

    We theoretically investigate the emittance and dynamic dissipation of a nanoscale interconnect consisting of a metallic single-walled carbon nanotube using the non-equilibrium Green's function technique for AC electronic transport. We show that the emittance and dynamic dissipation depend strongly on the contact conditions of the interconnect and that the power consumption can be reduced by adjusting the contact conditions. We propose an appropriate condition of contact that yields a high power factor and low apparent power.

  5. Multi-Modality Pulsed AC Source for Medical Applications of Non-Equilibrium Plasmas

    Science.gov (United States)

    Friedrichs, Daniel; Gilbert, James

    2014-10-01

    A burgeoning field has developed around the use of non-equilibrium (``cold'') plasmas for various medical applications, including wound treatment, surface sterilization, non-thermal hemostasis, and selective cell destruction. Proposed devices typically utilize pulsed DC power sources, which have no other therapeutic utility, and may encounter significant regulatory restrictions regarding their safety for use in patient care. Additionally, dedicated capital equipment is difficult for healthcare facilities to justify. In this work, we have demonstrated for the first time the generation of non-equilibrium plasma using pulsed AC output from a specially-designed electrosurgical generator. The ability to power novel non-equilibrium plasma devices from a piece of equipment already ubiquitous in operating theatres should significantly reduce the barriers to adoption of plasma devices. We demonstrate the ability of a prototype device, coupled to this source, to reduce bacterial growth in vitro. Such a system could allow a single surgical instrument to provide both non-thermal sterilization and thermal tissue dissection.

  6. An Initial Non-Equilibrium Porous-Media Model for CFD Simulation of Stirling Regenerators

    Science.gov (United States)

    Tew, Roy C.; Simon, Terry; Gedeon, David; Ibrahim, Mounir; Rong, Wei

    2006-01-01

    The objective of this paper is to define empirical parameters for an initial thermal non-equilibrium porous-media model for use in Computational Fluid Dynamics (CFD) codes for simulation of Stirling regenerators. The two codes currently used at Glenn Research Center for Stirling modeling are Fluent and CFD-ACE. The codes porous-media models are equilibrium models, which assume solid matrix and fluid are in thermal equilibrium. This is believed to be a poor assumption for Stirling regenerators; Stirling 1-D regenerator models, used in Stirling design, use non-equilibrium regenerator models and suggest regenerator matrix and gas average temperatures can differ by several degrees at a given axial location and time during the cycle. Experimentally based information was used to define: hydrodynamic dispersion, permeability, inertial coefficient, fluid effective thermal conductivity, and fluid-solid heat transfer coefficient. Solid effective thermal conductivity was also estimated. Determination of model parameters was based on planned use in a CFD model of Infinia's Stirling Technology Demonstration Converter (TDC), which uses a random-fiber regenerator matrix. Emphasis is on use of available data to define empirical parameters needed in a thermal non-equilibrium porous media model for Stirling regenerator simulation. Such a model has not yet been implemented by the authors or their associates.

  7. X-ray Signatures of Non-Equilibrium Ionization Effects in Galaxy Cluster Accretion Shock Regions

    CERN Document Server

    Wong, Ka-Wah; Ji, Li

    2010-01-01

    The densities in the outer regions of clusters of galaxies are very low, and the collisional timescales are very long. As a result, heavy elements will be under-ionized after they have passed through the accretion shock. We have studied systematically the effects of non-equilibrium ionization for relaxed clusters in the LambdaCDM cosmology using one-dimensional hydrodynamic simulations. We found that non-equilibrium ionization effects do not depend on cluster mass but depend strongly on redshift which can be understood by self-similar scaling arguments. The effects are stronger for clusters at lower redshifts. We present X-ray signatures such as surface brightness profiles and emission lines in detail for a massive cluster at low redshift. In general, soft emission (0.3-1.0 keV) is enhanced significantly by under-ionization, and the enhancement can be nearly an order of magnitude near the shock radius. The most prominent non-equilibrium ionization signature we found is the O VII and O VIII line ratio. The rat...

  8. Non-equilibrium condensation process in holographic superconductor with nonlinear electrodynamics

    CERN Document Server

    Liu, Yunqi; Wang, Bin

    2015-01-01

    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 Tc, 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 field 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 or...

  9. The efficiency of driving chemical reactions by a physical non-equilibrium is kinetically controlled.

    Science.gov (United States)

    Göppel, Tobias; Palyulin, Vladimir V; Gerland, Ulrich

    2016-07-27

    An out-of-equilibrium physical environment can drive chemical reactions into thermodynamically unfavorable regimes. Under prebiotic conditions such a coupling between physical and chemical non-equilibria may have enabled the spontaneous emergence of primitive evolutionary processes. Here, we study the coupling efficiency within a theoretical model that is inspired by recent laboratory experiments, but focuses on generic effects arising whenever reactant and product molecules have different transport coefficients in a flow-through system. In our model, the physical non-equilibrium is represented by a drift-diffusion process, which is a valid coarse-grained description for the interplay between thermophoresis and convection, as well as for many other molecular transport processes. As a simple chemical reaction, we consider a reversible dimerization process, which is coupled to the transport process by different drift velocities for monomers and dimers. Within this minimal model, the coupling efficiency between the non-equilibrium transport process and the chemical reaction can be analyzed in all parameter regimes. The analysis shows that the efficiency depends strongly on the Damköhler number, a parameter that measures the relative timescales associated with the transport and reaction kinetics. Our model and results will be useful for a better understanding of the conditions for which non-equilibrium environments can provide a significant driving force for chemical reactions in a prebiotic setting.

  10. Self-organized crystallization mechanism of non-equilibrium 2:1 type phyllosilicate systems

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The crystallization mechanism of 2:1 type regular interstratified minerals is investigated in views of non-equilibrium thermodynamics. The structural chemistry of relative layers and their interstratified combinations is analyzed and six kinds of non-equilibrium chemical systems have been induced. The universal laws of chemical reactions which happened in the interface region of these non-equilibrium systems have been summarized. From these laws, two reaction systems crystallizing out Tosudite and Rectorite respectively have been recovered. The kinetic model of chemical reactions has been developed by means of the mass conservation law. The oscillatory solution showing regular interstratified features has also been obtained numerically. These results indicate that the difference in original chemical composition among systems can affect the chemical connotation of reactants, intermediate products and resultants, and the flow chart of chemical reaction, but cannot change their crystallization behavior of network-forming cations, bigger and smaller network-modifying cations during crystallization. Hence, their kinetic model reflecting the universal crystallization law of these cations is just the same. These systems will crystallize out regular interstratified minerals at suitable parameters, which always exist as domain with nanometer-sized in thickness and can be called the self-organized ordering structure.

  11. Electronic structure of hcp transition metals

    DEFF Research Database (Denmark)

    Jepsen, O.; Andersen, O. Krogh; Mackintosh, A. R.

    1975-01-01

    Using the linear muffin-tin-orbital method described in the previous paper, we have calculated the electronic structures of the hcp transition metals, Zr, Hf, Ru, and Os. We show how the band structures of these metals may be synthesized from the sp and d bands, and illustrate the effects...... mRy. Very small pieces of Fermi surface, which have not yet been observed experimentally, are predicted for Os. The limited amount of experimental information available for Zr can be fairly satisfactorily interpreted if the calculated d bands are raised by about 10-20 mRy relative to the sp bands...

  12. Martensitic transformation fcc(γ)→hcp(ε)

    Institute of Scientific and Technical Information of China (English)

    徐祖耀

    1997-01-01

    Criteria of the thermoelastic martensitic transformation are suggested, on the basis of which the martensitic transformation fcc(γ)→hcp(ε) in Fe-Mn-Si based alloys is classified as a semi-thermoelastic transformation In contrast with the martensitic transformation fcc(γ)→bct(bcc)α’ in iron-based alloys, the thermoelastic transformation in Cu-based alloys and the t→m transformation in ceramics containing ZrO2, in γ→ε of Fe-Mn-Si, the strengthening and grain size of the parent phase will not markedly affecl the Ms and the internal friction peak indicating the martensitic Transformation does not correspond to a significant lowering of the elastic modulus, implying that the nucleation of ε-martensite may occur directly through the stacking fault and may not strongly depend on soft mode. A comparison between the thermal and stress induced ε martensites is made and a brief discussion is given.

  13. Gas-Liquid Interfacial Non-Equilibrium Plasmas for Structure Controlled Nanoparticles

    Science.gov (United States)

    Kaneko, Toshiro

    2013-10-01

    Plasmas generated in liquid or in contact with liquid have attracted much attention as a novel reactive field in the nano-bio material creation because the brand-new chemical and biological reactions are yielded at the gas-liquid interface, which are induced by the physical actions of the non-equilibrium plasmas. In this study, first, size- and structure-controlled gold nanoparticles (AuNPs) covered with DNA are synthesized using a pulse-driven gas-liquid interfacial discharge plasma (GLIDP) for the application to next-generation drug delivery systems. The size and assembly of the AuNPs are found to be easily controlled by changing the plasma parameters and DNA concentration in the liquid. On the other hand, the mono-dispersed, small-sized, and interval-controlled AuNPs are synthesized by using the carbon nanotubes (CNTs) as a template, where the CNTs are functionalized by the ion and radical irradiation in non-equilibrium plasmas. These new materials are now widely applied to the solar cell, optical devices, and so on. Second, highly-ordered periodic structures of the AuNPs are formed by transcribing the periodic plasma structure to the surface of the liquid, where the spatially selective synthesis of the AuNPs is realized. This phenomenon is well explained by the reduction and oxidation effects of the radicals which are generated by the non-equilibrium plasma irradiation to the liquid and resultant dissociation of the liquid. In addition, it is attempted to form nano- or micro-scale periodic structures of the AuNPs based on the self-organizing behavior of turbulent plasmas generated by the nonlinear development of plasma fluctuations at the gas-liquid interface.

  14. Response theory for non-equilibrium systems: theory and applications (Outstanding Young Scientist Lecture)

    Science.gov (United States)

    Lucarini, Valerio

    2010-05-01

    We consider the general response theory recently proposed by Ruelle for describing the impact of small perturbations to the non-equilibrium steady states resulting from Axiom A dynamical systems. We show that the causality of the response functions entails the possibility of writing a set of Kramers-Kronig (K-K) relations for the corresponding susceptibilities at all orders of nonlinearity, and specific results are provided for the case of arbitrary order harmonic response. These results shed light on the very general impact of considering the principle of causality for testing self-consistency: the described dispersion relations constitute unavoidable benchmarks that any experimental and model generated dataset must obey. These results, taking into account the chaotic hypothesis by Gallavotti and Cohen, might be relevant in several fields, including climate research. In particular, whereas the fluctuation-dissipation theorem does not work for non-equilibrium systems, because of the non-equivalence between internal and external fluctuations, K-K relations might be robust tools for the definition of a self-consistent theory of climate change. Along these lines, we present here the first evidence of the validity of these integral relations for the linear and the second harmonic response for the perturbed Lorenz 63 system, by showing that numerical simulations agree up to high degree of accuracy with the theoretical predictions. The numerical results confirm the conceptual validity of the nonlinear response theory, suggest that the theory can be extended for more general non equilibrium steady state systems, and shed new light on the applicability of very general tools, based only upon the principle of causality, for diagnosing the behavior of perturbed chaotic systems and reconstructing their output signals.

  15. NON-EQUILIBRIUM, NONLINEAR CRITICAL LAYERS IN LAMINAR-TURBULENT TRANSITION

    Institute of Scientific and Technical Information of China (English)

    WU Xuesong

    2004-01-01

    We describe some recent developments of high-Reynolds-number asymptotic theory for the nonlinear stage of laminar-turbulent transition in nearly parallel flows. The classic weakly nonlinear theory of Landau and Stuart is briefly revisited with the dual purposes of highlighting its fundamental ideas, which continue to underlie much of current theoretical thinking, as well as its difficulty in dealing with unbounded flows. We show that resolving such a difficulty requires an asymptotic approach based on the high-Reynolds-number assumption, which leads to a nonlinear critical-layer theory. Major recent results are reviewed with emphasis on the non-equilibrium effect. Future directions of investigation are indicated.

  16. Evolution of non-equilibrium entanglement networks in spincast thin polymer films

    Science.gov (United States)

    Dalnoki-Veress, Kari; McGraw, Joshua; Fowler, Paul

    2012-02-01

    Measuring the rheology of non-equilibrium thin polymer films has received significant attention recently. Experiments are typically performed on thin polymer films that inherit their structure from spin coating. While the results of several rheological experiments paint a clear picture, details of molecular configurations in spincast polymer films are still unknown. Here we present the results of crazing measurements which demonstrate that the effective entanglement density of thin polymer films changes as a function of annealing toward a stable equilibrium value. The effective entanglement density plateaus with a time scale on the same order as the bulk reptation time.

  17. Diffusive-convective transition in the non-equilibrium charging of an electric double layer

    Science.gov (United States)

    Lobaskin, Vladimir; Netz, Roland R.

    2016-12-01

    We study the non-equilibrium electrolyte kinetics in a planar nanocapacitor that is driven by periodically switching surfaces charges using simulations, theory and scaling analysis. The combined effects of inter-ionic charge correlations and hydrodynamic interactions lead to correlated convective behavior for weakly charged ions. These dynamic correlations, signaling the breakdown of the Poisson-Nernst-Planck theory, are distinct from static correlations that are manifested by the crossover from Poisson-Boltzmann to strong-coupling theory that occurs as the ion valency increases.

  18. 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

  19. 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

  20. Ultrafast electron diffraction from non-equilibrium phonons in femtosecond laser heated Au films

    Energy Technology Data Exchange (ETDEWEB)

    Chase, T. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Department of Applied Physics, Stanford University, Stanford, California 94305, USA; Trigo, M. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Reid, A. H. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Li, R. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Vecchione, T. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Shen, X. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Weathersby, S. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Coffee, R. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Hartmann, N. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Reis, D. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Department of Applied Physics, Stanford University, Stanford, California 94305, USA; PULSE Institute, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Wang, X. J. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Dürr, H. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA

    2016-01-25

    We use ultrafast electron diffraction to detect the temporal evolution of non-equilibrium phonons in femtosecond laser-excited ultrathin single-crystalline gold films. From the time-dependence of the Debye-Waller factor, we extract a 4.7 ps time-constant for the increase in mean-square atomic displacements. The observed increase in the diffuse scattering intensity demonstrates that the energy transfer from laser-heated electrons to phonon modes near the X and K points in the Au fcc Brillouin zone proceeds with timescales of 2.3 and 2.9 ps, respectively, faster than the Debye-Waller average mean-square displacement.

  1. Two-Temperature Model of non-equilibrium electron relaxation: A Review

    OpenAIRE

    Singh, Navinder

    2007-01-01

    The present paper is a review of the phenomena related to non-equilibrium electron relaxation in bulk and nano-scale metallic samples. The workable Two-Temperature Model (TTM) based on Boltzmann-Bloch-Peierls (BBP) kinetic equation has been applied to study the ultra-fast(femto-second) electronic relaxation in various metallic systems. The advent of new ultra-fast (femto-second) laser technology and pump-probe spectroscopy has produced wealth of new results for micro and nano-scale electronic...

  2. Binary jumps in continuum. II. Non-equilibrium process and a Vlasov-type scaling limit

    CERN Document Server

    Finkelshtein, Dmitri; Kutoviy, Oleksandr; Lytvynov, Eugene

    2011-01-01

    Let $\\Gamma$ denote the space of all locally finite subsets (configurations) in $\\mathbb R^d$. A stochastic dynamics of binary jumps in continuum is a Markov process on $\\Gamma$ in which pairs of particles simultaneously hop over $\\mathbb R^d$. We discuss a non-equilibrium dynamics of binary jumps. We prove the existence of an evolution of correlation functions on a finite time interval. We also show that a Vlasov-type mesoscopic scaling for such a dynamics leads to a generalized Boltzmann non-linear equation for the particle density.

  3. Non-Equilibrium Green's Function Calculation for Electron Transport through Magnetic Tunnel Junction

    Directory of Open Access Journals (Sweden)

    Sara Nobakht

    2014-06-01

    Full Text Available In this paper non-equilibrium Green's function method –dependent electron transport through non magnetic layer (insulator has been studied in one dimension .electron transport in multi-layer (magnetic/non magnetic/ magneticlayers is studied as quantum .the result show increasing the binding strength of the electrical insulator transition probability density case , the electron density , broad levels of disruption increases. Broad band connection increases the levels of disruption to electrical insulation and show non- conductive insulating state to semiconductor stat and even conductor

  4. A Computer Code to Calculate Emission and Transmission of Infrared Radiation through Non-Equilibrium Atmospheres.

    Science.gov (United States)

    1983-07-08

    CALCULATE Sinii.ItrmEMISSION AND TRANSMISSION OF INFRARED Sinii.Itrm RADIATION THROUGH NON-EQUILIBRIUM G. PERFORMING O1G. REPORT NUMBER ATMOSPHERES ERP ...8217 669.726-3 .9144J.1. *S4!468E+14 .S6d36E*14 .99414E414 *669.7265 .695eOE.1. .921910E+14 .94616E+14 .97342E414 ’ Saa hit.tZi!tt f.73 1Eti- .IMU1 -4 SIACIF+±4

  5. Two-Temperature Model of non-equilibrium electron relaxation: A Review

    OpenAIRE

    Singh, Navinder

    2007-01-01

    The present paper is a review of the phenomena related to non-equilibrium electron relaxation in bulk and nano-scale metallic samples. The workable Two-Temperature Model (TTM) based on Boltzmann-Bloch-Peierls (BBP) kinetic equation has been applied to study the ultra-fast(femto-second) electronic relaxation in various metallic systems. The advent of new ultra-fast (femto-second) laser technology and pump-probe spectroscopy has produced wealth of new results for micro and nano-scale electronic...

  6. Depletion of superfluidity in a disordered non-equilibrium quantum condensate

    Energy Technology Data Exchange (ETDEWEB)

    Janot, Alexander; Rosenow, Bernd [Institut fuer Theoretische Physik, Universitaet Leipzig, 04009 Leipzig (Germany); Hyart, Timo [Institute of Physics, Leiden University, Niels Bohrweg 2, 2333 CA Leiden (Netherlands); Eastham, Paul [School of Physics, Trinity College, Dublin 2 (Ireland)

    2013-07-01

    Observations of quantum coherence in driven systems, e.g. polariton condensates, have strongly stimulated experimental as well as theoretical efforts during the last decade. We analyze the superfluid stiffness of a non-equilibrium quantum-condensate in a disordered environment taking gain and loss of particles into account. To this end a modified effective Gross-Pitaevskii equation is employed. We find that the disorder-driven depletion of superfluidity is strongly enhanced due to the gain-loss mechanism. It turns out that the condensate remains stiff at finite length scales only.

  7. Non-equilibrium Phenomenon between Electron and Lattice Systems Induced by the Peltier Effect

    Science.gov (United States)

    Iwasaki, Hideo; Hori, Hidenobu; Sasaki, Shosuke

    2005-08-01

    Temperature distributions of the electron and lattice systems induced by the Peltier effect have been precisely measured by improved Harman method, where the temperature differences (Δ Tel and Δ Tla) have been independently evaluated for several terminal lengths (LV) in thermoelectric materials (Bi,Sb)2Te3. Both temperature distributions have different behaviors in the stationary state, that is, the LV dependences of Δ Tel and Δ Tla show positive and negative curvatures, respectively. It is also indicated that the temperature difference has a linear relation to LV in the whole system and the observed non-equilibrium phenomenon is consistent with a law of the conservation of heat quantity.

  8. The impact of non-equilibrium microstructure on the mechanical response of polymer nanocomposites

    Science.gov (United States)

    Thomin, James D.

    2007-12-01

    Experiments have shown that polymer nanocomposites can have mechanical properties that are greatly reinforced compared to the pure polymer, or even to equivalent micro-composites. However, despite a wealth of experimental observations, exactly how this occurs is still under debate. Using Molecular Dynamics computer simulations, we have shown that three primary physical effects can be present, depending on the system specifics. First, attractive particle-polymer interactions lead to a slowing of polymer motion in the interfacial zone. This effect then leads to an overall increase in the stress relaxation curve, in proportion to the volume fraction of the interfacial zone. Second, at high volume fractions of particles, "jamming" can occur whereby the particles make direct contact. This leads to solid-like behavior that is not polymer-based. Jamming can also occur at low volume fractions when the polymer-particle attractions are strong enough that polymer molecules form a bound layer around the particles, increasing the effective diameter to above the percolation threshold. The third effect is polymer-based, and can result in the formation of a long-time plateau in the relaxation modulus, or a substantial increase in the entanglement plateau. It occurs when polymer-particle interactions are strong enough that polymers are immobilized on the particle surface, but at volume fractions where there is a separation between bulk and interfacial regions. When these conditions are met, interparticle bridges may form, which then lead to network reinforcement. These conditions are by nature non-equilibrium, meaning that there are glassy regions which do not relax within accessible time-scales. Therefore, the properties of the composite depend strongly on processing history. At the opposite extreme, when polymer-particle interactions are weak, non-equilibrium particle clustering occurs. In contrast to the melt structures which are glassy because of strong enthalpic interactions

  9. Ultrafast electron diffraction from non-equilibrium phonons in femtosecond laser heated Au films

    Energy Technology Data Exchange (ETDEWEB)

    Chase, T. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); Trigo, M.; Reid, A. H.; Dürr, H. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Li, R.; Vecchione, T.; Shen, X.; Weathersby, S.; Coffee, R.; Hartmann, N.; Wang, X. J. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Reis, D. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); PULSE Institute, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States)

    2016-01-25

    We use ultrafast electron diffraction to detect the temporal evolution of non-equilibrium phonons in femtosecond laser-excited ultrathin single-crystalline gold films. From the time-dependence of the Debye-Waller factor, we extract a 4.7 ps time-constant for the increase in mean-square atomic displacements. The observed increase in the diffuse scattering intensity demonstrates that the energy transfer from laser-heated electrons to phonon modes near the X and K points in the Au fcc Brillouin zone proceeds with timescales of 2.3 and 2.9 ps, respectively, faster than the Debye-Waller average mean-square displacement.

  10. Lyapunov Functions, Stationary Distributions, and Non-equilibrium Potential for Reaction Networks.

    Science.gov (United States)

    Anderson, David F; Craciun, Gheorghe; Gopalkrishnan, Manoj; Wiuf, Carsten

    2015-09-01

    We consider the relationship between stationary distributions for stochastic models of reaction systems and Lyapunov functions for their deterministic counterparts. Specifically, we derive the well-known Lyapunov function of reaction network theory as a scaling limit of the non-equilibrium potential of the stationary distribution of stochastically modeled complex balanced systems. We extend this result to general birth-death models and demonstrate via example that similar scaling limits can yield Lyapunov functions even for models that are not complex or detailed balanced, and may even have multiple equilibria.

  11. On a variational formulation of the maximum energy dissipation principle for non-equilibrium chemical thermodynamics

    Science.gov (United States)

    Moroz, Adam

    2008-05-01

    In this work we revise the applicability of the optimal control and variational approach to the maximum energy dissipation (MED) principle in non-equilibrium thermodynamics. The optimal control analogies for the kinetical and potential parts of thermodynamic Lagrangian (in the form of a sum of the positively defined thermodynamic potential and positively defined dissipative function) have been considered. An interpretation of thermodynamic momenta is discussed with respect to standard optimal control applications, which employ dynamic constraints. Also included is interpretation in terms of the least action principle.

  12. The dynamics of a non-equilibrium bubble near bio-materials

    Science.gov (United States)

    Ohl, S. W.; Klaseboer, E.; Khoo, B. C.

    2009-10-01

    In many medical treatments oscillating (non-equilibrium) bubbles appear. They can be the result of high-intensity-focused ultrasound, laser treatments or shock wave lithotripsy for example. The physics of such oscillating bubbles is often not very well understood. This is especially so if the bubbles are oscillating near (soft) bio-materials. It is well known that bubbles oscillating near (hard) materials have a tendency to form a high speed jet directed towards the material during the collapse phase of the bubble. It is equally well studied that bubbles near a free interface (air) tend to collapse with a jet directed away from this interface. If the interface is neither 'free' nor 'hard', such as often occurs in bio-materials, the resulting flow physics can be very complex. Yet, in many bio-applications, it is crucial to know in which direction the jet will go (if there is a jet at all). Some applications require a jet towards the tissue, for example to destroy it. For other applications, damage due to impacting jets is to be prevented at all cost. This paper tries to address some of the physics involved in these treatments by using a numerical method, the boundary element method (BEM), to study the dynamics of such bubbles near several bio-materials. In the present work, the behaviour of a bubble placed in a water-like medium near various bio-materials (modelled as elastic fluids) is investigated. It is found that its behaviour depends on the material properties (Young's modulus, Poisson ratio and density) of the bio-material. For soft bio-materials (fat, skin, brain and muscle), the bubble tends to split into smaller bubbles. In certain cases, the resulting bubbles develop opposing jets. For hard bio-materials (cornea, cartilage and bone), the bubble collapses towards the interface with high speed jets (between 100 and about 250 m s-1). A summary graph is provided identifying the combined effects of the dimensionless elasticity (κ) and density ratio (α) of the

  13. Remembrance of things past: non-equilibrium effects and the evolution of critical fluctuations near the QCD critical point

    CERN Document Server

    Mukherjee, Swagato; Yin, Yi

    2015-01-01

    We report on recent progress in the study of the evolution of non-Gaussian cumulants of critical fluctuations. We explore the implications of non-equilibrium effects on the search for the QCD critical point.

  14. Gas-Kinetic Navier-Stokes Solver for Hypersonic Flows in Thermal and Chemical Non-Equilibrium Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR project proposes to develop a gas-kinetic Navier-Stokes solver for simulation of hypersonic flows in thermal and chemical non-equilibrium. The...

  15. Non-equilibrium processes in ash-laden volcanic plumes: new insights from 3D multiphase flow simulations

    Science.gov (United States)

    Esposti Ongaro, Tomaso; Cerminara, Matteo

    2016-10-01

    In the framework of the IAVCEI (International Association of Volcanology and Chemistry of the Earth Interior) initiative on volcanic plume models intercomparison, we discuss three-dimensional numerical simulations performed with the multiphase flow model PDAC (Pyroclastic Dispersal Analysis Code). The model describes the dynamics of volcanic and atmospheric gases (in absence of wind) and two pyroclastic phases by adopting a non-equilibrium Eulerian-Eulerian formulation. Accordingly, gas and particulate phases are treated as interpenetrating fluids, interacting with each other through momentum (drag) and heat exchange. Numerical results describe the time-wise and spatial evolution of weak (mass eruption rate: 1.5 × 106 kg/s) and strong (mass eruption rate: 1.5 × 109 kg/s) plumes. The two tested cases display a remarkably different phenomenology, associated with the different roles of atmospheric stratification, compressibility and mechanism of buoyancy reversal, reflecting in a different structure of the plume, of the turbulent eddies and of the atmospheric circulation. This also brings about different rates of turbulent mixing and atmospheric air entrainment. The adopted multiphase flow model allows to quantify temperature and velocity differences between the gas and particles, including settling, preferential concentration by turbulence and thermal non-equilibrium, as a function of their Stokes number, i.e., the ratio between their kinetic equilibrium time and the characteristic large-eddy turnover time of the turbulent plume. As a result, the spatial and temporal distribution of coarse ash in the atmosphere significantly differs from that of the fine ash, leading to a modification of the plume shape. Finally, three-dimensional numerical results have been averaged in time and across horizontal slices in order to obtain a one-dimensional picture of the plume in a stationary regime. For the weak plume, the results are consistent with one-dimensional models, at

  16. Generalized non-equilibrium vertex correction method in coherent medium theory for quantum transport simulation of disordered nanoelectronics

    Science.gov (United States)

    Yan, Jiawei; Ke, Youqi

    In realistic nanoelectronics, disordered impurities/defects are inevitable and play important roles in electron transport. However, due to the lack of effective quantum transport method, the important effects of disorders remain poorly understood. Here, we report a generalized non-equilibrium vertex correction (NVC) method with coherent potential approximation to treat the disorder effects in quantum transport simulation. With this generalized NVC method, any averaged product of two single-particle Green's functions can be obtained by solving a set of simple linear equations. As a result, the averaged non-equilibrium density matrix and various important transport properties, including averaged current, disordered induced current fluctuation and the averaged shot noise, can all be efficiently computed in a unified scheme. Moreover, a generalized form of conditionally averaged non-equilibrium Green's function is derived to incorporate with density functional theory to enable first-principles simulation. We prove the non-equilibrium coherent potential equals the non-equilibrium vertex correction. Our approach provides a unified, efficient and self-consistent method for simulating non-equilibrium quantum transport through disorder nanoelectronics. Shanghaitech start-up fund.

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

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Wei [Department of Physics and Astronomy and Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794 (United States); Wang, Jin, E-mail: jin.wang.1@stonybrook.edu [Department of Physics and Astronomy and Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794 (United States); State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 130022 Changchun, China and College of Physics, Jilin University, 130021 Changchun (China)

    2014-09-14

    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.

  18. Static versus dynamic analysis of the influence of gravity on concentration non-equilibrium fluctuations.

    Science.gov (United States)

    Croccolo, Fabrizio; Bataller, Henri; Scheffold, Frank

    2014-11-01

    In a binary fluid mixture subject to gravity and a stabilizing concentration gradient, concentration non-equilibrium fluctuations are long-ranged. While the gradient leads to an enhancement of the respective equilibrium fluctuations, the effect of gravity is a damping of fluctuations larger than a "characteristic" size. This damping is visible both in the fluctuation power spectrum probed by static and the temporal correlation function probed by dynamic light scattering. One aspect of the "characteristic" size can be appreciated by the dynamic analysis; in fact at the corresponding "characteristic" wave vector q* one can observe a maximum of the fluctuation time constant indicating the more persistent fluctuation of the system. Also in the static analysis a "characteristic" size can be extracted from the crossover wave vector. According to common theoretical concepts, the result should be the same in both cases. In the present work we provide evidence for a systematic difference in the experimentally observed "characteristic" size as obtained by static and dynamic measurements. Our observation thus points out the need for a more refined theory of non-equilibrium concentration fluctuations.

  19. Rheology modulated non-equilibrium fluctuations in time-dependent diffusion processes

    CERN Document Server

    Maity, Debonil; Chakraborty, Suman

    2015-01-01

    The effect of non-Newtonian rheology, manifested through a viscoelastic linearized Maxwell model, on the time-dependent non-equilibrium concentration fluctuations due to free diffusion as well as thermal diffusion of a species is analyzed theoretically. The non-equilibrium process is quantified through the concentration fluctuation auto-correlation function, also known as the dynamic structure factor. The analysis reveals that the effect of rheology is prominent for both the cases of free diffusion and thermal diffusion at long times where the rheology dictates not only the location of the peaks in concentration auto-correlations, but also the magnitudes; such peaks in the auto-correlation function are absent in the case of a Newtonian fluid. At smaller times, for the case of free diffusion presence of time-dependent peak(s) are observed, which are weakly dependent on the influence of rheology, a phenomenon which is absent in the case of thermal diffusion. Lastly, different regimes of the frequency dependent ...

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

    Energy Technology Data Exchange (ETDEWEB)

    Munafò, A., E-mail: munafo@illinois.edu; Alfuhaid, S. A., E-mail: alfuhai2@illinois.edu; Panesi, M., E-mail: mpanesi@illinois.edu [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Talbot Laboratory, 104 S. Wright St., Urbana, Illinois 61801 (United States); Cambier, J.-L., E-mail: jean-luc.cambier@us.af.mil [Edwards Air Force Base Research Laboratory, 10 E. Saturn Blvd., Edwards AFB, California 93524 (United States)

    2015-10-07

    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.

  1. NON-EQUILIBRIUM SOLUTE SEGREGATION TO AUSTENITIC GRAIN BOUNDARY IN FERRUM-NICKLE ALLOY

    Institute of Scientific and Technical Information of China (English)

    P. Wu; D.Y. Yu; X.L. He

    2001-01-01

    The development of non-equilibrium segregation of boron at grain boundaries in Fe-40%Ni alloy during continuous cooling process was experimentally observed with boronParticle Tracking Autoradiography (PTA) and Transmission Electron Microscopy(TEM). The samples with 10ppm boron were cooled at 2℃/s to 1040, 980, 920,860, 780 and 640℃ respectively after pre-heat treatment of 1150℃ for 15min witha Gleeble-1500 heat simulating machine, then water quenched to room temperature.The width of segregation layer and boron depletion zone, rich factor and other pc-rameters were measured by a special image analysis system. The experimental resultsof PTA show that the grain boundary segregation of boron during cooling process is adynamic process and the development of the non-equilibrium segregation experiencesthree stages: first increases rapidly from 1150 to 1040℃, then gently from 1040 to860℃, and rapidly again from 860℃ to 640℃. The width of boron depletion zoneincreases from about 11μm at 1040℃ to 26μm at 640℃. TEM observation showsthat boron precipitates exist at grain boundaries when the samples are cooled to below860℃. The experimental phenomena are briefly discussed.

  2. THERMAL NON-EQUILIBRIUM REVISITED: A HEATING MODEL FOR CORONAL LOOPS

    Energy Technology Data Exchange (ETDEWEB)

    Lionello, Roberto; Linker, Jon A.; Mikic, Zoran [Predictive Science, Inc., 9990 Mesa Rim Rd., Ste. 170, San Diego, CA 92121-2910 (United States); Winebarger, Amy R. [NASA Marshall Space Flight Center, ZP 13, Huntsville, AL 35812 (United States); Mok, Yung, E-mail: lionel@predsci.com, E-mail: linkerj@predsci.com, E-mail: mikicz@predsci.com, E-mail: amy.r.winebarger@nasa.gov, E-mail: ymok@uci.edu [Department of Physics and Astronomy, University of California, 4129 Reines Hall, Irvine, CA 92697 (United States)

    2013-08-20

    The location and frequency of events that heat the million-degree corona are still a matter of debate. One potential heating scenario is that the energy release is effectively steady and highly localized at the footpoints of coronal structures. Such an energy deposition drives thermal non-equilibrium solutions in the hydrodynamic equations in longer loops. This heating scenario was considered and discarded by Klimchuk et al. on the basis of their one-dimensional simulations as incapable of reproducing observational characteristics of loops. In this paper, we use three-dimensional simulations to generate synthetic emission images, from which we select and analyze six loops. The main differences between our model and that of Klimchuk et al. concern (1) dimensionality, (2) resolution, (3) geometrical properties of the loops, (4) heating function, and (5) radiative function. We find evidence, in this small set of simulated loops, that the evolution of the light curves, the variation of temperature along the loops, the density profile, and the absence of small-scale structures are compatible with the characteristics of observed loops. We conclude that quasi-steady footpoint heating that drives thermal non-equilibrium solutions cannot yet be ruled out as a viable heating scenario for EUV loops.

  3. Ion acceleration in non-equilibrium plasmas driven by fast drifting electron

    Energy Technology Data Exchange (ETDEWEB)

    Castro, G. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Università degli Studi di Catania, Dipartimento di Fisica e Astronomia, V. S.Sofia 64, 95123 Catania (Italy); Di Bartolo, F., E-mail: fdibartolo@unime.it [Università di Messina, V.le F. Stagno D’Alcontres 31, 98166, Messina (Italy); Gambino, N. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Università degli Studi di Catania, Dipartimento di Metodologie Fisiche e Chimiche per L’ingegneria, Viale A.Doria 6, 95125 Catania (Italy); Mascali, D. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); CSFNSM, Viale A. Doria 6, 95125 Catania (Italy); Romano, F.P. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); CNR-IBAM Via Biblioteca 4, 95124 Catania (Italy); Anzalone, A.; Celona, L.; Gammino, S. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Di Giugno, R. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Università degli Studi di Catania, Dipartimento di Fisica e Astronomia, V. S.Sofia 64, 95123 Catania (Italy); Lanaia, D. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Miracoli, R. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); Università degli Studi di Catania, Dipartimento di Fisica e Astronomia, V. S.Sofia 64, 95123 Catania (Italy); Serafino, T. [CSFNSM, Viale A. Doria 6, 95125 Catania (Italy); Tudisco, S. [INFN- Laboratori Nazionali del Sud, via S.Sofia 62, 95123 Catania (Italy); CSFNSM, Viale A. Doria 6, 95125 Catania (Italy)

    2013-05-01

    We hereby present results on ion acceleration mechanisms in non equilibrium plasmas generated by microwaves or high intensity laser pulses. Experiments point out that in magnetized plasmas X–B conversion takes place for under resonance values of the magnetic field, i.e. an electromagnetic mode is converted into an electrostatic wave. The strong self-generated electric field, of the order of 10{sup 7} V/m, causes a E × B drift which accelerates both ions and electrons, as it is evident by localized sputtering in the plasma chamber. These fields are similar (in magnitude) to the ones obtainable in laser generated plasmas at intensity of 10{sup 12} W/cm{sup 2}. In this latter case, we observe that the acceleration mechanism is driven by electrons drifting much faster than plasma bulk, thus generating an extremely strong electric field ∼10{sup 7} V/m. The two experiments confirm that ions acceleration at low energy is possible with table-top devices and following complementary techniques: i.e. by using microwave-driven (producing CW beams) plasmas, or non-equilibrium laser-driven plasmas (producing pulsed beams). Possible applications involve ion implantation, materials surface modifications, ion beam assisted lithography, etc.

  4. Non-equilibrium effect in the allosteric regulation of the bacterial flagellar switch

    Science.gov (United States)

    Wang, Fangbin; Shi, Hui; He, Rui; Wang, Renjie; Zhang, Rongjing; Yuan, Junhua

    2017-07-01

    The switching mechanism of the flagellar motor provides the basis for the motile behaviour of flagellated bacteria. Its highly sensitive response has previously been understood in terms of equilibrium models, either the classical two-state concerted allosteric model, or more generally, the Ising-type conformation spread model. Here, we systematically study motor switching under various load conditions from high to zero load, under different proton motive force (pmf) conditions and varying the number of torque-generating units (stators). In doing so, we reveal the signature of a non-equilibrium effect. To consistently account for the motor-switching dependence on each those conditions, a previously neglected non-equilibrium effect--the energy input from the motor torque--has to be incorporated into models of the flagellar switch. We further show that this effect increases the sensitivity of the flagellar switch. Exploiting a very small fraction of the energy expense of the flagellar motor for functional regulation increases its sensitivity greatly. Similar mechanisms are expected to be found in other protein complexes.

  5. 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.

  6. Determination of recovery factor for simulation of non-equilibrium sedimentation in reservoir

    Institute of Scientific and Technical Information of China (English)

    Jungkyu AHN; ChihTed YANG

    2015-01-01

    It is generally acceptable to assume that bed material load is equal to sediment transport capacity, if the exchange between bed and flow occurs instantaneously. However, for non-equilibrium sediment transport process, there are spatial and temporal delay effects. This is especially true for reservoir sedimentation processes. Recovery factor is a coefficient for non-equilibrium sediment transport. The determination of recovery factor can be obtained either experimentally or numerically. There is no consensus on the value of recovery factor in previous literatures. Numerical simulations with a semi-two dimensional sediment transport model, GSTARS4, were conducted in this study using various methods for the determination of recovery factor proposed by previous researches. Simulated results of a reservoir geometric change were sensitive to the selection of recovery factors. It was found that the recovery factor as a function of sediment size provided the most reasonable result. A functional relationship between recovery factor and sediment size was determined by comparing simulated and measured reservoir geometric change. Coarse sediment has small value of recovery factor.

  7. Search for a Non-equilibrium Plasma in the Merging Galaxy Cluster Abell 754

    CERN Document Server

    Inoue, Shota; Ueda, Shutaro; Nagino, Ryo; Tsunemi, Hiroshi; Koyama, Katsuji

    2016-01-01

    Abell 754 is a galaxy cluster in which an ongoing merger is evident on the plane of the sky, from the southeast to the northwest. We study the spatial variation of the X-ray spectra observed with Suzaku along the merging direction, centering on the Fe Ly-alpha / Fe He-alpha line ratio to search for possible deviation from ionization equilibrium. Fitting with a single temperature collisional non-equilibrium plasma model shows that the electron temperature increases from the southeast to the northwest. The ionization parameter is consistent with that in equilibrium (n_et>10^{13} s cm^{-3}) except for a specific region with the highest temperature (kT=13.3^{+1.4}_{-1.1} keV) where n_et=10^{11.6^{+0.6}_{-1.7}} s cm^{-3}. The elapsed time from the plasma heating estimated from the ionization parameter is 0.36-76 Myr at the 90% confidence level. This time scale is quite short but consistent with the traveling time of a shock to pass through that region. We thus interpret that the non-equilibrium ionization plasma i...

  8. Entropy production in photovoltaic-thermoelectric nanodevices from the non-equilibrium Green's function formalism.

    Science.gov (United States)

    Michelini, Fabienne; Crépieux, Adeline; Beltako, Katawoura

    2017-05-04

    We discuss some thermodynamic aspects of energy conversion in electronic nanosystems able to convert light energy into electrical or/and thermal energy using the non-equilibrium Green's function formalism. In a first part, we derive the photon energy and particle currents inside a nanosystem interacting with light and in contact with two electron reservoirs at different temperatures. Energy conservation is verified, and radiation laws are discussed from electron non-equilibrium Green's functions. We further use the photon currents to formulate the rate of entropy production for steady-state nanosystems, and we recast this rate in terms of efficiency for specific photovoltaic-thermoelectric nanodevices. In a second part, a quantum dot based nanojunction is closely examined using a two-level model. We show analytically that the rate of entropy production is always positive, but we find numerically that it can reach negative values when the derived particule and energy currents are empirically modified as it is usually done for modeling realistic photovoltaic systems.

  9. Non-Equilibrium Production of Photons via $\\pi^0 \\to 2\\gamma$ in DCCs

    CERN Document Server

    Boyanovsky, D; Holman, R; Kumar, S P

    1997-01-01

    We study production of photons via the non-equilibrium relaxation of a Disoriented Chiral Condensate with the chiral order parameter having a large initial amplitude along the \\pi^0 direction. Assuming the validity of the low energy coupling of the neutral pion to photons via the U_A(1) anomalous vertex, we find that for large initial amplitudes along the \\pi^0 direction, photon production is enhanced by parametric amplification. These processes are non-perturbative with a large contribution during the non-equilibrium stages of the evolution and result in a distinct distribution of the produced photons and a polarization asymmetry. For initial amplitudes of the \\pi^0 component of the order parameter between 200-400 MeV, corresponding to energy densities between 1-12 GeV/fm^3 we find a peak in the photon distribution at energies between 5-10%. We discuss the potential experimental impact of these results as well as the problems associated with its detection.

  10. Multi-Scale Microstructural Thermoelectric Materials: Transport Behavior, Non-Equilibrium Preparation, and Applications.

    Science.gov (United States)

    Su, Xianli; Wei, Ping; Li, Han; Liu, Wei; Yan, Yonggao; Li, Peng; Su, Chuqi; Xie, Changjun; Zhao, Wenyu; Zhai, Pengcheng; Zhang, Qingjie; Tang, Xinfeng; Uher, Ctirad

    2017-01-23

    Considering only about one third of the world's energy consumption is effectively utilized for functional uses, and the remaining is dissipated as waste heat, thermoelectric (TE) materials, which offer a direct and clean thermal-to-electric conversion pathway, have generated a tremendous worldwide interest. The last two decades have witnessed a remarkable development in TE materials. This Review summarizes the efforts devoted to the study of non-equilibrium synthesis of TE materials with multi-scale structures, their transport behavior, and areas of applications. Studies that work towards the ultimate goal of developing highly efficient TE materials possessing multi-scale architectures are highlighted, encompassing the optimization of TE performance via engineering the structures with different dimensional aspects spanning from the atomic and molecular scales, to nanometer sizes, and to the mesoscale. In consideration of the practical applications of high-performance TE materials, the non-equilibrium approaches offer a fast and controllable fabrication of multi-scale microstructures, and their scale up to industrial-size manufacturing is emphasized here. Finally, the design of two integrated power generating TE systems are described-a solar thermoelectric-photovoltaic hybrid system and a vehicle waste heat harvesting system-that represent perhaps the most important applications of thermoelectricity in the energy conversion area.

  11. A non-equilibrium state diagram for liquid/fluid/particle mixtures.

    Science.gov (United States)

    Velankar, Sachin S

    2015-11-21

    The equilibrium structures of ternary oil/water/surfactant systems are often represented within a triangular composition diagram with various regions of the triangle corresponding to different equilibrium states. We transplant this idea to ternary liquid/fluid/particle systems that are far from equilibrium. Liquid/liquid/particle mixtures or liquid/gas/particle mixtures yield a wide diversity of morphologies including Pickering emulsions, bijels, pendular aggregates, spherical agglomerates, capillary suspensions, liquid marbles, powdered liquids, and particle-stabilized foams. This paper argues that such ternary liquid/fluid/particle mixtures can be unified into a non-equilibrium state diagram. What is common among all these systems is that the morphology results from an interplay between the preferential wettability of the particles, capillarity, and viscous forces encountered during mixing. Therefore all such systems share certain universal features, regardless of the details of the particles or fluids used. These features guide the construction of a non-equilibrium state diagram which takes the form of a triangular prism, where each triangular cross-section of the prism corresponds to a different relative affinity of the particles towards the two fluids. We classify the prism into regions in which the various morphologies appear and also emphasize the major difference between systems in which the particles are fully-wetted by one of the fluids vs. partially-wetted by both fluids. We also discuss how the state diagram may change with mixing intensity or with interparticle attractions.

  12. Beyond the Knudsen number: assessing thermodynamic non-equilibrium in gas flows

    CERN Document Server

    Meng, Jianping; Reese, Jason M; Zhang, Yonghao

    2012-01-01

    For more than 150 years the Navier-Stokes equations for thermodynamically quasi-equilibrium flows have been the cornerstone of modern computational fluid dynamics that underpins new fluid technologies. However, the applicable regime of the Navier-Stokes model in terms of the level of thermodynamic non-equilibrium in the local flowfield is not clear especially for hypersonic and low-speed micro/nano flows. Here, we re-visit the Navier-Stokes model in the framework of Boltzmann statistics, and propose a new and more appropriate way of assessing non-equilibrium in the local flowfield, and the corresponding appropriateness of the Navier-Stokes model. Our theoretical analysis and numerical simulations confirm our proposed method. Through molecular dynamics simulations we reveal that the commonly-used Knudsen number, or a parametric combination of Knudsen and Mach numbers, may not be sufficient to accurately assess the departure of flowfields from equilibrium, and the applicability of the Navier-Stokes model.

  13. 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.

  14. A non-equilibrium picture of the chemical freeze-out in hadronic thermal models

    CERN Document Server

    De Assis, Leonardo P G; Chiapparini, Marcelo; Hirsch, Luciana R; Delfino, Antonio

    2012-01-01

    Thermal models have proven to be an useful and simple tool used to make theoretical predictions and data analysis in relativistic and ultra-relativistic heavy ion collisions. A new version of these models is presented here, incorporating a non equilibrium feature to the description of the intermediate fireball state formed at the chemical freeze-out. Two different effective temperatures are attributed to the expanding fireball, regarding its baryonic and mesonic sectors. The proposal is not merely to include an additional degree of freedom to reach a better adjustment to the data, but to open a room in the model conception for considerations on the non-equilibrium scenario of the system evolution. A set of well consolidated data for particles production is used to validated the reformulated version of thermal models presented here. A rather good performance of the extended version was verified, both for the quality of particle ratio data fittings as well as for describing the asymptotic energy behavior of tem...

  15. Molecular dynamics simulations of hcp/fcc nucleation and growth in bcc iron driven by uniaxial compression.

    Science.gov (United States)

    Wang, B T; Shao, J L; Zhang, G C; Li, W D; Zhang, P

    2009-12-02

    Molecular dynamics simulations have been performed to study the structural transition in bcc iron under uniaxial strain loading. We found that the transition pressures are less dependent on the crystal orientations, ∼14 GPa for [001], [011], and [111] loadings. However, the pressure interval of a mixed phase for [011] loading is much shorter than loading along other orientations. In addition, the temperature increased amplitude for [001] loading is evidently lower than other orientations. The nucleation and growth of the hcp/fcc phases, and their crystal orientation dependence, were analyzed in detail, where the atom structure was presented by the topological medium-range-order analysis. For [001] compression, the hcp structure occurs first and grows into a laminar morphology in the (011)(bcc) plane with some fcc atoms as an intermediate structure. For loading along [011] and [111] directions, both hcp and fcc structure nucleation and growth along the {110}(bcc) planes are observed; their morphology is also discussed.

  16. A New Position-Space Renormalization-Group Approach for Non-Equilibrium Systems and its Application to the Three-State Driven Lattice Gas

    Science.gov (United States)

    Georgiev, Ivan T.; McKay, Susan R.

    2004-03-01

    We have introduced a general position-space renormalization-group approach for non-equilibrium systems developed from the microscopic master equation. The method is based upon a closed form representation of the parameters of the system in terms of the steady state probability distribution of small clusters. From the master equation in terms of these small clusters, we build recursion relations linking parameters affecting transition rates on various length scales and determine the flow topology. Results for the three-state driven lattice gas show many of the expected features associated with the phase diagrams previously reported for this system, (G. Korniss, B. Schmittmann, and R.K.P. Zia, Non-Equilibrium Phase Transitions in a Simple Three-State Lattice Gas, J. Stat. Phys. 86, 721 (1997).)in excellent agreement with simulations. The flow diagrams also exhibit added complexities, suggesting multiple regions within the ordered phase for some values of parameters and the presence of an extra "source" fixed point. (I.T. Georgiev, U. of Maine Ph.D. Thesis (2003); I.T. Georgiev and S.R. McKay, in preparation.)

  17. Combined effect of non-equilibrium solidification and thermal annealing on microstructure evolution and hardness behavior of AZ91 magnesium alloy

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Z.Z.; Yang, W., E-mail: weiyang@mail.nwpu.edu.cn; Chen, S.H.; Yu, H.; Xu, Z.F.

    2014-06-15

    Non-equilibrium solidification of commercial AZ91 magnesium alloy was performed by copper mold spray-casting technique and the thermal stability property of as-formed meta-stable microstructure was investigated by subsequent annealing at different temperatures and times. Remarkable grain refinement appears with increasing cooling rate during solidification process, which is accompanied by a visible cellular/dendrite transition for the grain morphology of primary phase. Moreover, the non-equilibrium solidified alloy exhibits obvious precipitation hardening effect upon annealing at 200 °C, and the precipitation mode of β-Mg{sub 17}Al{sub 12} phase changes from discontinuous to continuous with extending isothermal time from 4 h to 16 h, which generates an increase of resultant micro-hardness value. After solid solution treatment at the elevated temperature of 420 °C, the volume fraction of β-Mg{sub 17}Al{sub 12} phase decreases and a notable grain growth phenomenon occurs, which give rise to a reduction of hardness in comparison with that of as-quenched alloy.

  18. Integral Method for the Assessment of U-RANS Effectiveness in Non-Equilibrium Flows and Heat Transfer

    Science.gov (United States)

    Pond, Ian; Edabi, Alireza; Dubief, Yves; White, Christopher

    2015-11-01

    Reynolds Average Navier Stokes (RANS) modeling has established itself as a critical design tool in many engineering applications, thanks to its superior computational efficiency. The drawbacks of RANS models are well known, but not necessarily well understood: poor prediction of transition, non equilibrium flows, mixing and heat transfer, to name the ones relevant to our study. In the present study, we use a DNS of a reciprocating channel flow driven by an oscillating pressure gradient to test several low- and high-Reynolds RANS models. Temperature is introduced as a passive scalar to study heat transfer modeling. Low-Reynolds models manage to capture the overall physics of wall shear and heat flux well, yet with some phase discrepancies, whereas high Reynolds models fail. Under the microscope of the integral method for wall shear and wall heat flux, the qualitative agreement appears more serendipitous than driven by the ability of the models to capture the correct physics. The integral method is shown to be more insightful in the benchmarking of RANS models than the typical comparisons of statistical quantities. The authors acknowledges the support of NSF and DOE under grant NSF/DOE 1258697 (VT) and 1258702 (NH).

  19. Dynamic shadowgraph experiments and image processing techniques for investigating non-equilibrium fluctuations during free diffusion in nanocolloids

    Science.gov (United States)

    Oprisan, Ana; Leilani Payne, Alexis

    2013-03-01

    Colloids are made of particles of sizes from 1 to 1000 nm dispersed in liquid, or a gas phase dispersed in a liquid (foam), or a solid or liquid dispersed in a gas (fume and fog). Colloids are ideal systems for investigating both spatial and temporal processes using optical methods since they have particle sizes larger than the characteristic size of atomic or molecular systems. We performed small angle light scattering (SALS) experiments in order to investigate the crossover between viscosity and concentration-driven non-equilibrium fluctuations. Our SALS experimental setup involved a free diffusion cell filled with nanoparticle colloids with the concentration gradient oriented against the gravitational field and a low coherence superluminescent diode (SLD) instead of a laser as the light source. By appropriately designing the optics, the speckle size of the CCD sensor can be matched with the pixel size, which makes the CCD a large ensemble of intensity autocorrelators working in parallel. Nonequilibrium concentration-driven fluctuations in three different nanocolloidal suspensions (gold, silver, and silica) with a wide range of particle sizes were recorded using a SALS shadowgraph technique. We used both the static and dynamic structure factor algorithms for image processing in order to compute the structure factor and the correlation time of the fluctuations. The correlation time allowed us to estimate the diffusion coefficients of all three nanocolloids.

  20. Non-equilibrium nature of two-dimensional isotropic and nematic coexistence in amyloid fibrils at liquid interfaces.

    Science.gov (United States)

    Jordens, Sophia; Isa, Lucio; Usov, Ivan; Mezzenga, Raffaele

    2013-01-01

    Two-dimensional alignment of shape-anisotropic colloids is ubiquitous in nature, ranging from interfacial virus assembly to amyloid plaque formation. The principles governing two-dimensional self-assembly have therefore long been studied, both theoretically and experimentally, leading, however, to diverging fundamental interpretations on the nature of the two-dimensional isotropic-nematic phase transition. Here we employ single-molecule atomic force microscopy, cryogenic scanning electron microscopy and passive probe particle tracking to study the adsorption and liquid crystalline ordering of semiflexible β-lactoglobulin fibrils at liquid interfaces. Fibrillar rigidity changes on increasing interfacial density, with a maximum caused by alignment and a subsequent decrease stemming from crowding and domain bending. Coexistence of nematic and isotropic regions is resolved and quantified by a length scale-dependent order parameter S(2D)(d). The nematic surface fraction increases with interfacial fibril density, but depends, for a fixed interfacial density, on the initial bulk concentration, ascribing the observed two-dimensional isotropic-nematic coexistence to non-equilibrium phenomena.

  1. Perturbative Calculation of Quasi-Potential in Non-equilibrium Diffusions: A Mean-Field Example

    Science.gov (United States)

    Bouchet, Freddy; Gawȩdzki, Krzysztof; Nardini, Cesare

    2016-06-01

    In stochastic systems with weak noise, the logarithm of the stationary distribution becomes proportional to a large deviation rate function called the quasi-potential. The quasi-potential, and its characterization through a variational problem, lies at the core of the Freidlin-Wentzell large deviations theory (Freidlin and Wentzell, Random perturbations of dynamical systems, 2012). In many interacting particle systems, the particle density is described by fluctuating hydrodynamics governed by Macroscopic Fluctuation Theory (Bertini et al., arXiv:1404.6466 URL"/> , 2014), which formally fits within Freidlin-Wentzell's framework with a weak noise proportional to 1/√{N}, where N is the number of particles. The quasi-potential then appears as a natural generalization of the equilibrium free energy to non-equilibrium particle systems. A key physical and practical issue is to actually compute quasi-potentials from their variational characterization for non-equilibrium systems for which detailed balance does not hold. We discuss how to perform such a computation perturbatively in an external parameter λ , starting from a known quasi-potential for λ =0. In a general setup, explicit iterative formulae for all terms of the power-series expansion of the quasi-potential are given for the first time. The key point is a proof of solvability conditions that assure the existence of the perturbation expansion to all orders. We apply the perturbative approach to diffusive particles interacting through a mean-field potential. For such systems, the variational characterization of the quasi-potential was proven by Dawson and Gartner (Stochastics 20:247-308, 1987; Stochastic differential systems, vol 96, pp 1-10, 1987). Our perturbative analysis provides new explicit results about the quasi-potential and about fluctuations of one-particle observables in a simple example of mean field diffusions: the Shinomoto-Kuramoto model of coupled rotators (Prog Theoret Phys 75:1105-1110, [74

  2. A non-equilibrium model for soil heating and moisture transport during extreme surface heating

    Directory of Open Access Journals (Sweden)

    W. J. Massman

    2015-03-01

    Full Text Available With increasing use of prescribed fire by land managers and increasing likelihood of wildfires due to climate change comes the need to improve modeling capability of extreme heating of soils during fires. This issue is addressed here by developing a one-dimensional non-equilibrium model of soil evaporation and transport of heat, soil moisture, and water vapor, for use with surface forcing ranging from daily solar cycles to extreme conditions encountered during fires. The model employs a linearized Crank–Nicolson scheme for the conservation equations of energy and mass and its performance is evaluated against dynamic soil temperature and moisture observations obtained during laboratory experiments on soil samples exposed to surface heat fluxes ranging between 10 000 and 50 000 W m−2. The Hertz–Knudsen equation is the basis for constructing the model's non-equilibrium evaporative source term. The model includes a dynamic residual soil moisture as a function of temperature and soil water potential, which allows the model to capture some of the dynamic aspects of the strongly bound soil moisture that seems to require temperatures well beyond 150 °C to fully evaporate. Furthermore, the model emulates the observed increase in soil moisture ahead of the drying front and the hiatus in the soil temperature rise during the strongly evaporative stage of drying. It also captures the observed rapid evaporation of soil moisture that occurs at relatively low temperatures (50–90 °C. Sensitivity analyses indicate that the model's success results primarily from the use of a temperature and moisture potential dependent condensation coefficient in the evaporative source term. The model's solution for water vapor density (and vapor pressure, which can exceed one standard atmosphere, cannot be experimentally verified, but they are supported by results from (earlier and very different models developed for somewhat different purposes and for different porous

  3. Non-equilibrium and equilibrium sorption with a linear-sorption isotherm during mass transport through an infinite, porous medium: some analytical solutions

    Energy Technology Data Exchange (ETDEWEB)

    Carnahan, C.L.; Remer, J.S.

    1981-04-01

    Analytical solutions have been developed for the problem of solute transport in a steady, three dimensional field of groundwater flow with non-equilibrium mass transfer of a radioactive species between fluid and solid phases and with anisotropic hydrodynamic dispersion. Interphase mass transport is described by a linear rate expression. Solutions are presented also for the case of equilibrium distribution of solute between fluid and solid phases. Three types of release from a point source were considered: instantaneous release of a finite mass of solute, continuous release at an exponentially decaying rate, and release for a finite period of time. Graphical displays of computational results for point-source solutions show the expected variation of sorptive retardation effects progressing from the case of no sorption, through several cases of non-equilibrium sorption, to the case of equilibrium sorption. The point-source solutions can be integrated over finite regions of a space to provide analytical solutions for regions of solute release having finite spatial extents and various geometrical shapes, thus considerably extending the utility of the point-source solutions.

  4. Non-equilibrium molecular dynamics simulations of spall in single crystal tantalum

    Science.gov (United States)

    Hahn, Eric N.; Germann, Timothy C.; Ravelo, Ramon J.; Hammerberg, James E.; Meyers, Marc A.

    2017-01-01

    Ductile tensile failure of tantalum is examined through large scale non-equilibrium molecular dynamics simulations. Several loading schemes including flyer plate impact, decaying shock loading via a frozen piston, and quasi-isentropic (constant strain-rate) expansion are employed to span tensile strain-rates of 108 to 1014 per second. Single crystals of orientation are specifically evaluated to eliminate grain boundary effects. Heterogeneous void nucleation occurs principally at the intersection of deformation twins in single crystals. At high strain rates, multiple spall events occur throughout the material and voids continue to nucleate until relaxation waves arrive from adjacent events. At ultra-high strain rates, those approaching or exceeding the atomic vibrational frequency, spall strength saturates near the maximum theoretical spall strength.

  5. Non-equilibrium Lifshitz theory as a steady state of a full dynamical quantum system

    CERN Document Server

    Lombardo, Fernando C; Lopez, Adrian E Rubio; Turiaci, Gustavo J

    2015-01-01

    In this work we analyze the validity of Lifshitz's theory for the case of non-equilibrium scenarios from a full quantum dynamical approach. We show that Lifshitz's framework for the study of the Casimir pressure is the result of considering the long-time regime (or steady state) of a well-defined fully quantized problem, subjected to initial conditions for the electromagnetic field interacting with real materials. For this, we implement the closed time path formalism developed in previous works to study the case of two half spaces (modeled as composite environments, consisting in quantum degrees of freedom plus thermal baths) interacting with the electromagnetic field. Starting from initial uncorrelated free subsystems, we solve the full time evolution, obtaining general expressions for the different contributions to the pressure that take part on the transient stage. Using the analytic properties of the retarded Green functions, we obtain the long-time limit of these contributions to the total Casimir pressu...

  6. Atmospheric Pressure Non-Equilibrium Plasma as a Green Tool to Crosslink Gelatin Nanofibers

    Science.gov (United States)

    Liguori, Anna; Bigi, Adriana; Colombo, Vittorio; Focarete, Maria Letizia; Gherardi, Matteo; Gualandi, Chiara; Oleari, Maria Chiara; Panzavolta, Silvia

    2016-12-01

    Electrospun gelatin nanofibers attract great interest as a natural biomaterial for cartilage and tendon repair despite their high solubility in aqueous solution, which makes them also difficult to crosslink by means of chemical agents. In this work, we explore the efficiency of non-equilibrium atmospheric pressure plasma in stabilizing gelatin nanofibers. We demonstrate that plasma represents an innovative, easy and environmentally friendly approach to successfully crosslink gelatin electrospun mats directly in the solid state. Plasma treated gelatin mats display increased structural stability and excellent retention of fibrous morphology after immersion in aqueous solution. This method can be successfully applied to induce crosslinking both in pure gelatin and genipin-containing gelatin electrospun nanofibers, the latter requiring an even shorter plasma exposure time. A complete characterization of the crosslinked nanofibres, including mechanical properties, morphological observations, stability in physiological solution and structural modifications, has been carried out in order to get insights on the occurring reactions triggered by plasma.

  7. Diffusion dynamics in external noise-activated non-equilibrium open system-reservoir coupling environment

    Institute of Scientific and Technical Information of China (English)

    Wang Chun-Yang

    2013-01-01

    The diffusion process in an extemal noise-activated non-equilibrium open system-reservoir coupling environment is studied by analytically solving the generalized Langevin equation.The dynamical property of the system near the barrier top is investigated in detail by numerically calculating the quantities such as mean diffusion path,invariance,barrier passing probability,and so on.It is found that,comparing with the unfavorable effect of internal fluctuations,the external noise activation is sometimes beneficial to the diffusion process.An optimal strength of external activation or correlation time of the internal fluctuation is expected for the diffusing particle to have a maximal probability to escape from the potential well.

  8. Entropy-based artificial viscosity stabilization for non-equilibrium Grey Radiation-Hydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Delchini, Marc O., E-mail: delchinm@email.tamu.edu; Ragusa, Jean C., E-mail: jean.ragusa@tamu.edu; Morel, Jim, E-mail: jim.morel@tamu.edu

    2015-09-01

    The entropy viscosity method is extended to the non-equilibrium Grey Radiation-Hydrodynamic equations. The method employs a viscous regularization to stabilize the numerical solution. The artificial viscosity coefficient is modulated by the entropy production and peaks at shock locations. The added dissipative terms are consistent with the entropy minimum principle. A new functional form of the entropy residual, suitable for the Radiation-Hydrodynamic equations, is derived. We demonstrate that the viscous regularization preserves the equilibrium diffusion limit. The equations are discretized with a standard Continuous Galerkin Finite Element Method and a fully implicit temporal integrator within the MOOSE multiphysics framework. The method of manufactured solutions is employed to demonstrate second-order accuracy in both the equilibrium diffusion and streaming limits. Several typical 1-D radiation-hydrodynamic test cases with shocks (from Mach 1.05 to Mach 50) are presented to establish the ability of the technique to capture and resolve shocks.

  9. Manipulating shear-induced non-equilibrium transitions in colloidal films by feedback control.

    Science.gov (United States)

    Vezirov, Tarlan A; Gerloff, Sascha; Klapp, Sabine H L

    2015-01-14

    Using Brownian Dynamics (BD) simulations we investigate non-equilibrium transitions of sheared colloidal films under controlled shear stress σxz. In our approach the shear rate [small gamma, Greek, dot above] is a dynamical variable, which relaxes on a time scale τc such that the instantaneous, configuration-dependent stress σxz(t) approaches a pre-imposed value. Investigating the dynamics under this "feedback-control" scheme we find unique behavior in regions where the flow curve σxz([small gamma, Greek, dot above]) of the uncontrolled system is monotonic. However, in non-monotonic regions our method allows to select between dynamical states characterized by different in-plane structure and viscosities. Indeed, the final state strongly depends on τc relative to an intrinsic relaxation time of the uncontrolled system. The critical values of τc are estimated on the basis of a simple model.

  10. Multiple Quenches, Jarzynski Equality and Diagonal Entropy: A Novel Approach For Non-equilibrium Dynamics

    CERN Document Server

    Ngo, Van A

    2013-01-01

    We propose a combination between the theory of diagonal entropy representing far-from-equilibrium ensembles and Jarzynski Equality to explore thermalization effects on thermodynamic quantities such as temperature, entropy, mechanical work and free-energy changes. Applying the theory to a quantum harmonic oscillator, we find that diagonal entropy offers a definition of temperature for closed systems far from equilibrium, and a better sampling of reaction pathways than the conventional von Neumann entropy. We also apply the theory to a many-body system of hard-core boson lattice, and discuss the ideas of how to estimate temperature, entropy and measure work distribution functions. The theory suggests a powerful technique to study non-equilibrium dynamics in quantum systems by means of performing work in a series of quenches.

  11. Laser Thomson scattering diagnostics of non-equilibrium high pressure plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Muraoka, K.; Uchino, K.; Bowden, M.D.; Noguchi, Y. [Kyushu Univ., Fukuoka (Japan). Interdisciplinary Graduate School of Engineering Sciences

    2001-07-01

    For various applications of non-equilibrium high pressure plasmas, knowledge of electron properties, such as electron density, electron temperature and/or electron energy distribution function (eedf), is prerequisite for any rational approach to understanding physical and chemical processes occurring in the plasmas. For this purpose, laser Thomson scattering has been successfully applied for the first time to measure the electron properties in plasmas for excimer laser pumping and in microdischarges. Although this diagnostic technique is well established for measurements in high temperature plasmas, its applications to these glow discharge plasmas have had various inherent difficulties, such as a presence of high density neutral particles (>10{sup 21} m{sup -3}) in the excimer laser pumping discharges and an extremely small plasma size (<0.1 mm) and the presence of nearby walls for microdischarges. These difficulties have been overcome and clear signals have been obtained. The measured results are presented and their implications in the respective discharge phenomena are discussed.

  12. A non-equilibrium thermodynamic model for tumor extracellular matrix with enzymatic degradation

    Science.gov (United States)

    Xue, Shi-Lei; Li, Bo; Feng, Xi-Qiao; Gao, Huajian

    2017-07-01

    The extracellular matrix (ECM) of a solid tumor not only affords scaffolding to support tumor architecture and integrity but also plays an essential role in tumor growth, invasion, metastasis, and therapeutics. In this paper, a non-equilibrium thermodynamic theory is established to study the chemo-mechanical behaviors of tumor ECM, which is modeled as a poroelastic polyelectrolyte consisting of a collagen network and proteoglycans. By using the principle of maximum energy dissipation rate, we deduce a set of governing equations for drug transport and mechanosensitive enzymatic degradation in ECM. The results reveal that osmosis is primarily responsible for the compression resistance of ECM. It is suggested that a well-designed ECM degradation can effectively modify the tumor microenvironment for improved efficiency of cancer therapy. The theoretical predictions show a good agreement with relevant experimental observations. This study aimed to deepen our understanding of tumor ECM may be conducive to novel anticancer strategies.

  13. On the non-equilibrium dynamics of cavitation around the underwater projectile in variable motion

    Science.gov (United States)

    Chen, Y.; Lu, C. J.; Li, J.; Chen, X.; Gong, Z. X.

    2015-12-01

    In this work, the dynamic behavior of the non-equilibrium cavitation occurring around the underwater projectiles navigating with variable speed was numerically and theoretically investigated. The cavity collapse induced by the decelerating motion of the projectiles can be classified into two types: periodic oscillation and damped oscillation. In each type the evolution of the total mass of vapor in cavity are found to have strict correlation with the pressure oscillation in far field. By defining the equivalent radius of cavity, we introduce the specific kinetic energy of collapse and demonstrate that its change-rate is in good agreement with the pressure disturbance. We numerically investigated the influence of angle of attack on the collapse effect. The result shows that when the projectile decelerates, an asymmetric-focusing effect of the pressure induced by collapse occurs on its pressure side. We analytically explained such asymmetric-focusing effect.

  14. Evolution and non-equilibrium physics: A study of the Tangled Nature Model

    Science.gov (United States)

    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 to show that punctuated equilibria successively generated by the model's dynamics have increasing entropy and are separated by increasing entropic barriers. We further show that these states are organized in a hierarchy and that limiting the values of possible interactions to a finite interval leads to stationary fluctuations within a component of the latter. A coarse-grained description based on the temporal statistics of quakes, the events leading from one component of the hierarchy to the next, accounts for the logarithmic growth of the population and the decaying rate of change of macroscopic variables. Finally, we question the role of fitness in large-scale evolution models and speculate on the possible evolutionary role of rejuvenation and memory effects.

  15. Non-equilibrium structure and dynamics in a microscopic model of thin film active gels

    CERN Document Server

    Head, D A; Gompper, G

    2013-01-01

    In the presence of ATP, molecular motors generate active force dipoles that drive suspensions of protein filaments far from thermodynamic equilibrium, leading to exotic dynamics and pattern formation. Microscopic modelling can help to quantify the relationship between individual motors plus filaments to the large-wavelength properties represented by "hydrodynamic" models. Here we present results of extensive numerical simulations of active gels where the motors and filaments are confined between two infinite parallel plates. Thermal fluctuations and excluded-volume interactions between filaments are included. A systematic variation of rates for motor motion, attachment and detachment, including a differential detachment rate from filament ends, reveals a range of non-equilibrium behaviour. Strong motor binding produces structured filament aggregates that we refer to as asters, bundles or layers, whose stability depends on motor speed and differential end-detachment. The gross features of the dependence of the...

  16. I. Dissociation free energies in drug-receptor systems via non equilibrium alchemical simulations: theoretical framework

    CERN Document Server

    Procacci, Piero

    2016-01-01

    In this contribution I critically revise the alchemical reversible approach in the context of the statistical mechanics theory of non covalent bonding in drug receptor systems. I show that most of the pitfalls and entanglements for the binding free energies evaluation in computer simulations are rooted in the equilibrium assumption that is implicit in the reversible method. These critical issues can be resolved by using a non-equilibrium variant of the alchemical method in molecular dynamics simulations, relying on the production of many independent trajectories with a continuous dynamical evolution of an externally driven alchemical coordinate, completing the decoupling of the ligand in a matter of few tens of picoseconds rather than nanoseconds. The absolute binding free energy can be recovered from the annihilation work distributions by applying an unbiased unidirectional free energy estimate, on the assumption that any observed work distribution is given by a mixture of normal distributions, whose compone...

  17. Partial Remelting of Thixotropic Magnesium-Rare Earth Alloy from Near Non- Equilibrium- Liquidus Casting

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    After the investigation on partial remelting of thixotropic magnesium serial alloys (ZK60) by near non-equilibrium liquidus casting (NNLC), the primary solid grains of ZK60-2Ca alloy spheroidized notably during partial remelting processing, however, coarsening and polygonization as occurred holding time prolonged. The refining and globularity of the thixotropic alloys are promoted after further alloyed by Y, RE, Nd and/or Ag, and the results vary with those addition. The remelting structure of ZK60-2Ca-1Y alloy is finer than its base alloy. And the effect of RE, especially Ag, on the refinement of microstructure is notable, but Nd does nothing on it. There is little impact of remelting temperature fluctuation on partial remelted microstructure as holding time in general. On the contrary, it is more sensitive at longer holding time. The quality thixotropic silver-contained alloy can be achieved by remelted partially at 600 ℃ for 10 min.

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

    CERN Document Server

    Kinder-Geiger, Klaus

    1996-01-01

    I discuss an approach 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.

  19. Stiff-spring approximation revisited: inertial effects in non-equilibrium trajectories

    CERN Document Server

    Nategholeslam, Mostafa; Tomberli, Bruno

    2016-01-01

    Use of harmonic guiding potentials is the most common method for implementing steered molecular dynamics (SMD) simulations, performed to obtain potentials of mean force (PMFs) of molecular systems using non-equilibrium work (NEW) theorems. Harmonic guiding potentials are also the natural choice in single molecule force spectroscopy experiments. The stiff spring approximation (SSA) of Schulten and coworkers enables to use the work performed along SMD trajectories to obtain the PMF. We discuss and demonstrate how a high spring constant, k, required for the validity of the SSA can violate another requirement of this theory, i.e., the validity of Brownian dynamics of the system. Violation of the Brownian condition results in the introduction of kinetic energy contributions to the external work, performed during SMD simulations. These inertial effects result in skewed work distributions, rather than the Gaussian distributions predicted by SSA. The inertial effects also result in broader work distributions, which w...

  20. Thermal Non-equilibrium Revealed by Periodic Pulses of Random Amplitudes in Solar Coronal Loops

    Science.gov (United States)

    Auchère, F.; Froment, C.; Bocchialini, K.; Buchlin, E.; Solomon, J.

    2016-08-01

    We recently detected variations in extreme ultraviolet intensity in coronal loops repeating with periods of several hours. Models of loops including stratified and quasi-steady heating predict the development of a state of thermal non-equilibrium (TNE): cycles of evaporative upflows at the footpoints followed by falling condensations at the apex. Based on Fourier and wavelet analysis, we demonstrate that the observed periodic signals are indeed not signatures of vibrational modes. Instead, superimposed on the power law expected from the stochastic background emission, the power spectra of the time series exhibit the discrete harmonics and continua expected from periodic trains of pulses of random amplitudes. These characteristics reinforce our earlier interpretation of these pulsations as being aborted TNE cycles.

  1. Effects of non-equilibrium particle distributions in deuterium-tritium burning

    Energy Technology Data Exchange (ETDEWEB)

    Michta, D; Graziani, F; Pruet, J; Luu, T

    2009-08-18

    We investigate the effects of non-equilibrium particle distributions resulting from rapid deuterium-tritium burning in plasmas using a Fokker-Planck code that incorporates small-angle Coulomb scattering, Brehmsstrahlung, Compton scattering, and thermal-nuclear burning. We find that in inertial confinement fusion environments, deviations away from Maxwellian distributions for either deuterium or tritium ions are small and result in 1% changes in the energy production rates. The deuterium and tritium effective temperatures are not equal, but differ by only about 2.5% near the time of peak burn rate. Simulations with high Z (Xe) dopants show that the dopant temperature closely tracks that of the fuel. On the other hand, fusion product ion distributions are highly non-Maxwellian, and careful treatments of energy-exchange between these ions and other particles is important for determining burn rates.

  2. Perturbative Non-Equilibrium Thermal Field Theory to all Orders in Gradient Expansion

    CERN Document Server

    Millington, Peter

    2013-01-01

    We present a new perturbative formulation of non-equilibrium thermal field theory, based upon non-homogeneous free propagators and time-dependent vertices. The resulting time-dependent diagrammatic perturbation series are free of pinch singularities without the need for quasi-particle approximation or effective resummation of finite widths. After arriving at a physically meaningful definition of particle number densities, we derive master time evolution equations for statistical distribution functions, which are valid to all orders in perturbation theory and to all orders in a gradient expansion. For a scalar model, we perform a loopwise truncation of these evolution equations, whilst still capturing fast transient behaviour, which is found to be dominated by energy-violating processes, leading to the non-Markovian evolution of memory effects.

  3. Non-equilibrium tunneling in zigzag graphene nanoribbon break-junction results in spin filtering

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Liming [Centre for Neural Engineering, The University of Melbourne, 203 Bouverie Street, Carlton, Victoria 3053 (Australia); Department of Electrical and Electronic Engineering, The University of Melbourne, Parkville 3010 (Australia); National ICT Australia, The University of Melbourne, Parkville 3010 (Australia); Qiu, Wanzhi; Sharafat Hossain, Md; Al-Dirini, Feras; Skafidas, Efstratios, E-mail: sskaf@unimelb.edu.au [Centre for Neural Engineering, The University of Melbourne, 203 Bouverie Street, Carlton, Victoria 3053 (Australia); Department of Electrical and Electronic Engineering, The University of Melbourne, Parkville 3010 (Australia); Evans, Robin [Department of Electrical and Electronic Engineering, The University of Melbourne, Parkville 3010 (Australia)

    2016-02-07

    Spintronic devices promise new faster and lower energy-consumption electronic systems. Graphene, a versatile material and candidate for next generation electronics, is known to possess interesting spintronic properties. In this paper, by utilizing density functional theory and non-equilibrium green function formalism, we show that Fano resonance can be generated by introducing a break junction in a zigzag graphene nanoribbon (ZGNR). Using this effect, we propose a new spin filtering device that can be used for spin injection. Our theoretical results indicate that the proposed device could achieve high spin filtering efficiency (over 90%) at practical fabrication geometries. Furthermore, our results indicate that the ZGNR break junction lattice configuration can dramatically affect spin filtering efficiency and thus needs to be considered when fabricating real devices. Our device can be fabricated on top of spin transport channel and provides good integration between spin injection and spin transport.

  4. NON-EQUILIBRIUM MOLECULAR DYNAMICS USED TO OBTAIN SORET COEFFICIENTS OF BINARY HYDROCARBON MIXTURES

    Directory of Open Access Journals (Sweden)

    F. A. Furtado

    2015-09-01

    Full Text Available AbstractThe Boundary Driven Non-Equilibrium Molecular Dynamics (BD-NEMD method is employed to evaluate Soret coefficients of binary mixtures. Using a n-decane/n-pentane mixture at 298 K, we study several parameters and conditions of the simulation procedure such as system size, time step size, frequency of perturbation, and the undesired warming up of the system during the simulation. The Soret coefficients obtained here deviated around 20% when comparing with experimental data and with simulated results from the literature. We showed that fluctuations in composition gradients and the consequent deviations of the Soret coefficient may be due to characteristic fluctuations of the composition gradient. Best results were obtained with the smallest time steps and without using a thermostat, which shows that there is room for improvement and/or development of new BD-NEMD algorithms.

  5. EMPLOYMENT, PRODUCTION AND CONSUMPTION WITH RANDOM UPDATE: NON-EQUILIBRIUM STATIONARY STATE EQUATIONS

    Directory of Open Access Journals (Sweden)

    Hynek Lavička

    2013-12-01

    Full Text Available In this work, we investigate the Model of Employment, Production and Consumption, as introduced in a series of papers by I. Wright [1–3] from the perspective of statistical physics, and we focus on the presence of equilibrium. The model itself belongs to the class of multi-agent computational models, which aim to explain macro-economic behavior using explicit micro-economic interactions.Based on the mean-field approximation, we form the Fokker-Plank equation(s and then formulate conditions forming the stationary solution, which results in a system of non-linear integral-differential equations. This approximation then allows the presence of non-equilibrium stationary states, where the model is a mixed additive-multiplicative model.

  6. Morphological instability of a non-equilibrium ice-colloid interface

    KAUST Repository

    Peppin, S. S. L.

    2009-10-02

    We assess the morphological stability of a non-equilibrium ice-colloidal suspension interface, and apply the theory to bentonite clay. An experimentally convenient scaling is employed that takes advantage of the vanishing segregation coefficient at low freezing velocities, and when anisotropic kinetic effects are included, the interface is shown to be unstable to travelling waves. The potential for travelling-wave modes reveals a possible mechanism for the polygonal and spiral ice lenses observed in frozen clays. A weakly nonlinear analysis yields a long-wave evolution equation for the interface shape containing a new parameter related to the highly nonlinear liquidus curve in colloidal systems. We discuss the implications of these results for the frost susceptibility of soils and the fabrication of microtailored porous materials. © 2009 The Royal Society.

  7. On the non-equilibrium dynamics of dissipative Rydberg gases in the presence of dephasing noise

    CERN Document Server

    Levi, Emanuele; Lesanovsky, Igor

    2016-01-01

    In the presence of strong dephasing noise the dynamics of Rydberg gases becomes effectively classical, due to the rapid decay of quantum superpositions between atomic levels. Recently a great deal of attention has been devoted to the stochastic dynamics that emerges in that limit, revealing several interesting features, including kinetically-constrained glassy behaviour, self-similarity and aggregation effects. However, the non-equilibrium physics of these systems, in particular in the regime where coherent and dissipative processes contribute on equal footing, is yet far from being understood. To explore this we study the dynamics of a small one-dimensional Rydberg lattice gas subject to dephasing noise by numerically integrating the quantum Master equation. We find indications that the main features observed in the strongly dissipative limit persist when the dissipation is not strong enough to annihilate quantum coherences at the dynamically relevant time scales. These features include a power law growth of...

  8. Kinetic behavior of the general modifier mechanism of Botts and Morales with non-equilibrium binding

    CERN Document Server

    Jia, Chen; Qian, Min-Ping; Jiang, Da-Quan; Zhang, Yu-Ping

    2010-01-01

    In this paper, we thoroughly investigate the kinetic behavior of the general modifier mechanism of Botts and Morales at both equilibrium steady state assuming equilibrium substrate- and modifier-binding steps and non-equilibrium steady state (NESS) without assuming equilibrium binding steps. We introduce the net flux into discussion and propose a method which gains a strong advantage over early approaches involving King-Atman method and even the numerical computations in dealing with the cyclic reaction systems. Using this new approach, the expression of product rate at NESS gives clear biophysical significance. Moreover, we classify the kinetic behavior of the modifier into three categories, namely hyperbolic behavior, bell-shaped behavior, and switching behavior. It turns out that a modifier cannot be regarded as overall activator or inhibitor when the reaction system is not at equilibrium. The switching-behaved modifier may convert between activator and inhibitor via the general modifier mechanism when the...

  9. The minimization of non-equilibrium plasma source at high pressure

    Institute of Scientific and Technical Information of China (English)

    BAI MinDi; QIU XiuMei; LIU Dong; YANG Bo; ZHOU JianGang; XUE XiaoHong; GU JianLong

    2008-01-01

    The density of plasma produced by atmospheric non-equilibrium plasma source is the function of en-ergy dissipation rate in ionization electric field and gas particles momentum. The experiment shows that the plasma density highly rises with the increasing of energy dissipation rate and gas particles momentum. When the energy dissipation rate of activation field is 2.18 Wh/m3 and the average gas particles momentum is 109×10-22 g·m/s, the air throughput of plasma source whose volume is only 2.5 cm3 can be up to 12 m3/h and the density of plasma can be up to 1010 cm-3. The research can develop a method of producing minitype plasma source which is low energy consumption but high ion concert-tration used for chemical industry, environmental engineering and military.

  10. A parametrized non-equilibrium wall-model for large-eddy simulations

    CERN Document Server

    Hickel, Stefan; Bodart, Julien; Larsson, Johan

    2015-01-01

    Wall-models are essential for enabling large-eddy simulations (LESs) of realistic problems at high Reynolds numbers. The present study is focused on approaches that directly model the wall shear stress, specifically on filling the gap between models based on wall-normal ordinary differential equations (ODEs) that assume equilibrium and models based on full partial differential equations (PDEs) that do not. We develop ideas for how to incorporate non-equilibrium effects (most importantly, strong pressure-gradient effects) in the wall-model while still solving only wall-normal ODEs. We test these ideas using two reference databases: an adverse pressure-gradient turbulent boundary-layer and a shock/boundary-layer interaction problem, both of which lead to separation and re-attachment of the turbulent boundary layer.

  11. 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.

  12. The role of electron scattering with vibrationally excited nitrogen molecules on non-equilibrium plasma kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Capitelli, Mario [Dipartimento di Chimica, Universitá di Bari, Via Orabona 4, 70125 Bari (Italy); CNR-IMIP, Via Amendola 122/D, 70126 Bari (Italy); Colonna, Gianpiero; D' Ammando, Giuliano; Laricchiuta, Annarita [CNR-IMIP, Via Amendola 122/D, 70126 Bari (Italy); Laporta, Vincenzo [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

    2013-10-15

    Electron energy distribution functions have been calculated by a self-consistent model which couples the electron Boltzmann equation with vibrationally and electronically excited state kinetics and plasma chemistry. Moderate pressure nitrogen gas discharges in the E/N range from 30 to 60 Townsend are investigated comparing an electron-impact cross section set considering transitions starting from all the vibrational states, with reduced models, taking into account only collisions involving the ground vibrational level. The results, while confirming the important role of second kind collisions in affecting the eedf, show a large dependence of the eedf on the set of inelastic processes involving vibrationally and electronically excited molecules, pointing out the need of using a cross section database including processes linking excited states in non-equilibrium plasma discharge models.

  13. K-Alpha Emission Spectra From Non-Equilibrium Ionizing Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Jacobs, V L; Decaux, V; Beiersdorfer, P

    2004-12-16

    K{alpha} X-ray emission spectra from highly charged Fe ions have been theoretically predicted using a detailed and systematic spectral model. Account has been taken of the fundamental atomic radiative-emission processes associated with inner-shell electron collisional excitation and ionization, as well as dielectronic recombination. Particular emphasis has been directed at extreme non-equilibrium or transient-ionization conditions, which can occur in astrophysical and tokamak plasmas. Good agreement has been found in comparisons with spectral observations on the EBIT-II electron beam ion trap at the Lawrence Livermore National Laboratory. We have identified spectral features that can serve as diagnostics of the electron density, the line-formation mechanism, and the charge-state distribution.

  14. Non-equilibrium Landauer transport model for Hawking radiation from a black hole

    Science.gov (United States)

    Nation, P. D.; Blencowe, M. P.; Nori, Franco

    2012-03-01

    We propose that the Hawking radiation energy and entropy flow rates from a black hole can be viewed as a one-dimensional (1D), non-equilibrium Landauer transport process. Support for this viewpoint comes from previous calculations invoking conformal symmetry in the near-horizon region, which give radiation rates that are identical to those of a single 1D quantum channel connected to a thermal reservoir at the Hawking temperature. The Landauer approach shows in a direct way the particle statistics independence of the energy and entropy fluxes of a black hole radiating into vacuum, as well as one near thermal equilibrium with its environment. As an application of the Landauer approach, we show that Hawking radiation gives a net entropy production that is 50% larger than that obtained assuming standard 3D emission into vacuum.

  15. Tracing non-equilibrium plasma dynamics on the attosecond timescale in small clusters

    CERN Document Server

    Saalmann, Ulf; Rost, Jan M

    2007-01-01

    It is shown that the energy absorption of a rare-gas cluster from a vacuum-ultraviolet (VUV) pulse can be traced with time-delayed extreme-ultraviolet (XUV) attosecond probe pulses by measuring the kinetic energy of the electrons detached by the probe pulse. By means of this scheme we demonstrate, that for pump pulses as short as one femtosecond, the charging of the cluster proceeds during the formation of an electronic nano-plasma inside the cluster. Using moderate harmonics for the VUV and high harmonics for the XUV pulse from the same near-infrared laser source, this scheme with well defined time delays between pump and probe pulses should be experimentally realizable. Going to even shorter pulse durations we predict that pump and probe pulses of about 250 attoseconds can induce and monitor non-equilibrium dynamics of the nano-plasma.

  16. Dilution and resonance enhanced repulsion in non-equilibrium fluctuation forces

    CERN Document Server

    Bimonte, Giuseppe; Kruger, Matthias; Kardar, Mehran

    2011-01-01

    In equilibrium, forces induced by fluctuations of the electromagnetic field between electrically polarizable objects (microscopic or macroscopic) in vacuum are always attractive. The force may, however, become repulsive for microscopic particles coupled to thermal baths with different temperatures. We demonstrate that this non-equilibrium repulsion can be realized also between macroscopic objects, as planar slabs, if they are kept at different temperatures. It is shown that repulsion can be enhanced by (i) tuning of material resonances in the thermal region, and by (ii) reducing the dielectric contrast due to "dilution". This can lead to stable equilibrium positions. We discuss the realization of these effects for aerogels, yielding repulsion down to sub-micron distances at realistic porosities.

  17. 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...

  18. A Non-equilibrium Thermodynamic Framework for the Dynamics and Stability of Ecosystems

    CERN Document Server

    Michaelian, K

    2002-01-01

    The population dynamics and stability of ecosystems of interacting species is studied from the perspective of non-equilibrium thermodynamics by assuming that species, through their biotic and abiotic interactions, are units of entropy production and exchange in an open thermodynamic system with constant external constraints. Within the context of the linear theory of irreversible thermodynamics, such a system will naturally evolve towards a stable stationary state in which the production of entropy within the ecosystem is at a local minimum value. It is shown that this extremal condition leads to equations for the stationary (steady) state population dynamics of interacting species, more general than those of Lotka-Volterra, and to conditions on the parameters of the community interaction matrix guaranteeing ecosystem stability. The paradoxical stability of real complex ecosystems thus has a simple explanation within the proposed framework. Furthermore, it is shown that the second law of thermodynamics constr...

  19. The asymmetric simple exclusion process: an integrable model for non-equilibrium statistical mechanics

    Science.gov (United States)

    Golinelli, Olivier; Mallick, Kirone

    2006-10-01

    The asymmetric simple exclusion process (ASEP) plays the role of a paradigm in non-equilibrium statistical mechanics. We review exact results for the ASEP obtained by the Bethe ansatz and put emphasis on the algebraic properties of this model. The Bethe equations for the eigenvalues of the Markov matrix of the ASEP are derived from the algebraic Bethe ansatz. Using these equations we explain how to calculate the spectral gap of the model and how global spectral properties such as the existence of multiplets can be predicted. An extension of the Bethe ansatz leads to an analytic expression for the large deviation function of the current in the ASEP that satisfies the Gallavotti-Cohen relation. Finally, we describe some variants of the ASEP that are also solvable by the Bethe ansatz.

  20. The asymmetric simple exclusion process: an integrable model for non-equilibrium statistical mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Golinelli, Olivier [Service de Physique Theorique, CEA Saclay, 91191 Gif-sur-Yvette Cedex (France); Mallick, Kirone [Service de Physique Theorique, CEA Saclay, 91191 Gif-sur-Yvette Cedex (France)

    2006-10-13

    The asymmetric simple exclusion process (ASEP) plays the role of a paradigm in non-equilibrium statistical mechanics. We review exact results for the ASEP obtained by the Bethe ansatz and put emphasis on the algebraic properties of this model. The Bethe equations for the eigenvalues of the Markov matrix of the ASEP are derived from the algebraic Bethe ansatz. Using these equations we explain how to calculate the spectral gap of the model and how global spectral properties such as the existence of multiplets can be predicted. An extension of the Bethe ansatz leads to an analytic expression for the large deviation function of the current in the ASEP that satisfies the Gallavotti-Cohen relation. Finally, we describe some variants of the ASEP that are also solvable by the Bethe ansatz.

  1. Mean flow structure of non-equilibrium boundary layers with adverse pressure gradient

    Indian Academy of Sciences (India)

    B C Mandal; H P Mazumdar; S S Dutta

    2014-10-01

    In this paper Spalding’s formulation for the law of the wall with constants modified by Persen is used to describe the inner region (viscous sub-layer and certain portion of logarithmic layer) and a wake law due to Persen is used to describe the wake region (outer region). These two laws are examined in the light of measured data by Marušić and Perry for non-equilibrium adverse pressure gradient layers. It is observed that structure of turbulence for this flow is well-described by these two laws. From the known structure of turbulence eddy viscosity for the flow under consideration is calculated. Self similarity in eddy viscosity is observed in the wall region.

  2. Thermal Non-Equilibrium Revealed by Periodic Pulses of Random Amplitudes in Solar Coronal Loops

    CERN Document Server

    Auchère, F; Bocchialini, K; Buchlin, E; Solomon, J

    2016-01-01

    We recently detected variations in extreme ultraviolet intensity in coronal loops repeating with periods of several hours. Models of loops including stratified and quasi-steady heating predict the development of a state of thermal non-equilibrium (TNE): cycles of evaporative upflows at the footpoints followed by falling condensations at the apex. Based on Fourier and wavelet analysis, we demonstrate that the observed periodic signals are indeed not signatures of vibrational modes. Instead, superimposed on the power law expected from the stochastic background emission, the power spectra of the time series exhibit the discrete harmonics and continua expected from periodic trains of pulses of random amplitudes. These characteristics reinforce our earlier interpretation of these pulsations as being aborted TNE cycles.

  3. Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias

    Science.gov (United States)

    Nüske, Feliks; Wu, Hao; Prinz, Jan-Hendrik; Wehmeyer, Christoph; Clementi, Cecilia; Noé, Frank

    2017-03-01

    Many state-of-the-art methods for the thermodynamic and kinetic characterization of large and complex biomolecular systems by simulation rely on ensemble approaches, where data from large numbers of relatively short trajectories are integrated. In this context, Markov state models (MSMs) are extremely popular because they can be used to compute stationary quantities and long-time kinetics from ensembles of short simulations, provided that these short simulations are in "local equilibrium" within the MSM states. However, over the last 15 years since the inception of MSMs, it has been controversially discussed and not yet been answered how deviations from local equilibrium can be detected, whether these deviations induce a practical bias in MSM estimation, and how to correct for them. In this paper, we address these issues: We systematically analyze the estimation of MSMs from short non-equilibrium simulations, and we provide an expression for the error between unbiased transition probabilities and the expected estimate from many short simulations. We show that the unbiased MSM estimate can be obtained even from relatively short non-equilibrium simulations in the limit of long lag times and good discretization. Further, we exploit observable operator model (OOM) theory to derive an unbiased estimator for the MSM transition matrix that corrects for the effect of starting out of equilibrium, even when short lag times are used. Finally, we show how the OOM framework can be used to estimate the exact eigenvalues or relaxation time scales of the system without estimating an MSM transition matrix, which allows us to practically assess the discretization quality of the MSM. Applications to model systems and molecular dynamics simulation data of alanine dipeptide are included for illustration. The improved MSM estimator is implemented in PyEMMA of version 2.3.

  4. 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.

  5. Optical tweezers manipulation of colloids and biopolymers: non-equilibrium processes

    Science.gov (United States)

    Wang, G. M.; Sevick, E. M.

    2008-08-01

    The Fluctuation Theorems (FTs) of Evans & Searles and of Crooks are fundamental theorems of modern thermodynamics that have been suggested to be of practical use to scientists and engineers. Non-equilibrium processes with energy fluctuations on the order of thermal energy, κBT, are described by the FTs; examples include the stretching of a DNA molecule, the localisation of a colloidal particle in an optical trap of changing strength, and translation of an optically trapped colloidal particle. If the path or process is traversed over long times or the system is sufficiently large that it can be considered in the classical, thermodynamic limit, then, in principle, there is only one value of the energy characterising the path. However, for small systems, there exists a distribution of energy values and this distribution is associated with non-equilibrium fluctuations of the system that do not average out over short time. The FT of Evans & Searles, as well as the FT of Crooks (from which the Jarzynski relation is derived), describe the symmetry of this energy distribution about zero. This distribution is inherent to the dynamics of small systems, such as nano-machines and single molecular motors. In this paper we present the FTs in a single unified language, considering that the work done on the system is either purely dissipative, achieves a change in thermodynamic state of the system, or a combination of these. We demonstrate this with a single colloidal particle in an optical trap and a single DNA molecule stretched in an OT experiment.

  6. Error suppression and error correction in adiabatic quantum computation: non-equilibrium dynamics

    Science.gov (United States)

    Sarovar, Mohan; Young, Kevin C.

    2013-12-01

    While adiabatic quantum computing (AQC) has some robustness to noise and decoherence, it is widely believed that encoding, error suppression and error correction will be required to scale AQC to large problem sizes. Previous works have established at least two different techniques for error suppression in AQC. In this paper we derive a model for describing the dynamics of encoded AQC and show that previous constructions for error suppression can be unified with this dynamical model. In addition, the model clarifies the mechanisms of error suppression and allows the identification of its weaknesses. In the second half of the paper, we utilize our description of non-equilibrium dynamics in encoded AQC to construct methods for error correction in AQC by cooling local degrees of freedom (qubits). While this is shown to be possible in principle, we also identify the key challenge to this approach: the requirement of high-weight Hamiltonians. Finally, we use our dynamical model to perform a simplified thermal stability analysis of concatenated-stabilizer-code encoded many-body systems for AQC or quantum memories. This work is a companion paper to ‘Error suppression and error correction in adiabatic quantum computation: techniques and challenges (2013 Phys. Rev. X 3 041013)’, which provides a quantum information perspective on the techniques and limitations of error suppression and correction in AQC. In this paper we couch the same results within a dynamical framework, which allows for a detailed analysis of the non-equilibrium dynamics of error suppression and correction in encoded AQC.

  7. Non-Equilibrium Zeldovich-Von Neumann-Doring Theory and Reactive Flow Modeling of Detonation

    Energy Technology Data Exchange (ETDEWEB)

    Tarver, C M; Forbes, J W; Urtiew, P A

    2002-05-02

    This paper discusses the Non-Equilibrium Zeldovich - von Neumann - Doring (NEZND) theory of self-sustaining detonation waves and the Ignition and Growth reactive flow model of shock initiation and detonation wave propagation in solid explosives. The NEZND theory identified the non-equilibrium excitation processes that precede and follow the exothermic decomposition of a large high explosive molecule into several small reaction product molecules. The thermal energy deposited by the leading shock wave must be distributed to the vibrational modes of the explosive molecule before chemical reactions can occur. The induction time for the onset of the initial endothermic reactions can be calculated using high pressure, high temperature transition state theory. Since the chemical energy is released well behind the leading shock front of a detonation wave, a physical mechanism is required for this chemical energy to reinforce the leading shock front and maintain its overall constant velocity. This mechanism is the amplification of pressure wavelets in the reaction zone by the process of de-excitation of the initially highly vibrationally excited reaction product molecules. This process leads to the development of the three-dimensional structure of detonation waves observed for all explosives. For practical predictions of shock initiation and detonation in hydrodynamic codes, phenomenological reactive flow models have been developed. The Ignition and Growth reactive flow model of shock initiation and detonation in solid explosives has been very successful in describing the overall flow measured by embedded gauges and laser interferometry. This reactive flow model uses pressure and compression dependent reaction rates, because time resolved experimental temperature data is not yet available. Since all chemical reaction rates are ultimately controlled by temperature, the next generation of reactive flow models will use temperature dependent reaction rates. Progress on a

  8. Non-equilibrium steady states in the Klein-Gordon theory

    Science.gov (United States)

    Doyon, Benjamin; Lucas, Andrew; Schalm, Koenraad; Bhaseen, M. J.

    2015-03-01

    We construct non-equilibrium steady states in the Klein-Gordon theory in arbitrary space dimension d following a local quench. We consider the approach where two independently thermalized semi-infinite systems, with temperatures {{T}L} and {{T}R}, are connected along a d-1-dimensional hypersurface. A current-carrying steady state, described by thermally distributed modes with temperatures {{T}L} and {{T}R} for left and right-moving modes, respectively, emerges at late times. The non-equilibrium density matrix is the exponential of a non-local conserved charge. We obtain exact results for the average energy current and the complete distribution of energy current fluctuations. The latter shows that the long-time energy transfer can be described by a continuum of independent Poisson processes, for which we provide the exact weights. We further describe the full time evolution of local observables following the quench. Averages of generic local observables, including the stress-energy tensor, approach the steady state with a power-law in time, where the exponent depends on the initial conditions at the connection hypersurface. We describe boundary conditions and special operators for which the steady state is reached instantaneously on the connection hypersurface. A semiclassical analysis of freely propagating modes yields the average energy current at large distances and late times. We conclude by comparing and contrasting our findings with results for interacting theories and provide an estimate for the timescale governing the crossover to hydrodynamics. As a modification of our Klein-Gordon analysis we also include exact results for free Dirac fermions.

  9. Transport coefficients and heat fluxes in non-equilibrium high-temperature flows with electronic excitation

    Science.gov (United States)

    Istomin, V. A.; Kustova, E. V.

    2017-02-01

    The influence of electronic excitation on transport processes in non-equilibrium high-temperature ionized mixture flows is studied. Two five-component mixtures, N 2 / N2 + / N / N + / e - and O 2 / O2 + / O / O + / e - , are considered taking into account the electronic degrees of freedom for atomic species as well as the rotational-vibrational-electronic degrees of freedom for molecular species, both neutral and ionized. Using the modified Chapman-Enskog method, the transport coefficients (thermal conductivity, shear viscosity and bulk viscosity, diffusion and thermal diffusion) are calculated in the temperature range 500-50 000 K. Thermal conductivity and bulk viscosity coefficients are strongly affected by electronic states, especially for neutral atomic species. Shear viscosity, diffusion, and thermal diffusion coefficients are not sensible to electronic excitation if the size of excited states is assumed to be constant. The limits of applicability for the Stokes relation are discussed; at high temperatures, this relation is violated not only for molecular species but also for electronically excited atomic gases. Two test cases of strongly non-equilibrium flows behind plane shock waves corresponding to the spacecraft re-entry (Hermes and Fire II) are simulated numerically. Fluid-dynamic variables and heat fluxes are evaluated in gases with electronic excitation. In inviscid flows without chemical-radiative coupling, the flow-field is weakly affected by electronic states; however, in viscous flows, their influence can be more important, in particular, on the convective heat flux. The contribution of different dissipative processes to the heat transfer is evaluated as well as the effect of reaction rate coefficients. The competition of diffusion and heat conduction processes reduces the overall effect of electronic excitation on the convective heating, especially for the Fire II test case. It is shown that reliable models of chemical reaction rates are of great

  10. Towards a model of non-equilibrium binding of metal ions in biological systems.

    Science.gov (United States)

    Beardmore, James; Exley, Christopher

    2009-02-01

    We have used a systems biology approach to address the hitherto insoluble problem of the quantitative analysis of non-equilibrium binding of aqueous metal ions by competitive ligands in heterogeneous media. To-date, the relative proportions of different metal complexes in aqueous media has only been modelled at chemical equilibrium and there are no quantitative analyses of the approach to equilibrium. While these models have improved our understanding of how metals are used in biological systems they cannot account for the influence of kinetic factors in metal binding, transport and fate. Here we have modelled the binding of aluminium, Al(III), in blood serum by the iron transport protein transferrin (Tf) as it is widely accepted that the biological fate of this non-essential metal is not adequately described by experiments, invitro and insilico, which have consistently demonstrated that at equilibrium 90% of serum Al(III) is bound by Tf. We have coined this paradox 'the blood-aluminium problem' and herein applied a systems biology approach which utilised well-found assumptions to pare away the complexities of the problem such that it was defined by a comparatively simple set of computational rules and, importantly, its solution assumed significant predictive capabilities. Here we show that our novel computational model successfully described the binding of Al(III) by Tf both at equilibrium and as equilibrium for Al(Tf) was approached. The model predicted significant non-equilibrium binding of Al by ligands in competition with Tf and, thereby, provided an explanation of why the distribution of Al(III) in the body cannot be adequately described by its binding and transport by Tf alone. Generically the model highlighted the significance of kinetic in addition to thermodynamic constraints in defining the fate of metal ions in biological systems.

  11. Non equilibrium dynamics of mixing, oscillations, and equilibration: A model study

    Energy Technology Data Exchange (ETDEWEB)

    Ho, Chiu Man; Boyanovsky, D.; Ho, C. M.

    2006-12-22

    The non-equilibrium dynamics of mixing, oscillations and equilibration is studied in a field theory of flavored neutral mesons that effectively models two flavors of mixed neutrinos, in interaction with other mesons that represent a thermal bath of hadrons or quarks and charged leptons. This model describes the general features of neutrino mixing and relaxation via charged currents in a medium. The reduced density matrix and the non-equilibrium effective action that describes the propagation of neutrinos is obtained by integrating out the bath degrees of freedom. We obtain the dispersion relations, mixing angles and relaxation rates of ``neutrino'' quasiparticles. The dispersion relations and mixing angles are of the same form as those of neutrinos in the medium, and the relaxation rates are given by $\\Gamma_1(k) = \\Gamma_{ee}(k) \\cos^2\\theta_m(k)+\\Gamma_{\\mu\\mu}(k)\\sin^2\\theta_m(k); \\Gamma_2(k)= \\Gamma_{\\mu\\mu}(k) \\cos^2\\theta_m(k)+\\Gamma_{ee}(k)\\sin^2\\theta_m(k) $ where $\\Gamma_{\\alpha\\alpha}(k)$ are the relaxation rates of the flavor fields in \\emph{absence} of mixing, and $\\theta_m(k)$ is the mixing angle in the medium. A Weisskopf-Wigner approximation that describes the asymptotic time evolution in terms of a non-hermitian Hamiltonian is derived. At long time $>>\\Gamma^{-1}_{1,2}$ ``neutrinos'' equilibrate with the bath. The equilibrium density matrix is nearly diagonal in the basis of eigenstates of an \\emph{effective Hamiltonian that includes self-energy corrections in the medium}. The equilibration of ``sterile neutrinos'' via active-sterile mixing is discussed.

  12. The Study of Dynamic Potentials of Highly Excited Vibrational States of DCP: From Case Analysis to Comparative Study with HCP.

    Science.gov (United States)

    Wang, Aixing; Fang, Chao; Liu, Yibao

    2016-08-22

    The dynamic potentials of highly excited vibrational states of deuterated phosphaethyne (DCP) in the D-C and C-P stretching coordinates with anharmonicity and Fermi coupling are studied in this article and the results show that the D-C-P bending vibration mode has weak effects on D-C and C-P stretching modes under different Polyad numbers (P number). Furthermore, the dynamic potentials and the corresponding phase space trajectories of DCP are given, as an example, in the case of P = 30. In the end, a comparative study between deuterated phosphaethyne (DCP) and phosphaethyne (HCP) with dynamic potential is done, and it is elucidated that the uncoupled mode makes the original horizontal reversed symmetry breaking between the dynamic potential of HCP ( q 3 ) and DCP ( q 1 ), but has little effect on the vertical reversed symmetry, between the dynamic potential of HCP ( q 2 ) and DCP ( q 3 ).

  13. Shaped Ni nanoparticles with an unconventional hcp crystalline structure.

    Science.gov (United States)

    Kim, Chanyeon; Kim, Cheonghee; Lee, Kangtaek; Lee, Hyunjoo

    2014-06-18

    Hourglass-shaped Ni nanoparticles were synthesized with a hexagonal close packed (hcp) structure. The unconventional crystalline structure could be stabilized by intensive utilization of hexadecylamine. The dense organic layer on the surface protected the meta-stable crystalline structure.

  14. Core reserve expansion requirement/Long-term SKR HCP

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — This letter is regarding the Stephens Kangaroo Rat Habitat Conservation Plan (SKR HCP) which requires that the Riverside County Habitat Conservation Agency establish...

  15. Development of Numerical Extended Hydrodynamics for Transition-Regime Non-Equilibrium Flows Encountered in Semiconductor Manufacturing Processes

    Science.gov (United States)

    Groth, Clinton P. T.; Roe, Philip L.

    1998-01-01

    Six months of funding was received for the proposed three year research program (funding for the period from March 1, 1997 to August 31, 1997). Although the official starting date for the project was March 1, 1997, no funding for the project was received until July 1997. In the funded research period, considerable progress was made on Phase I of the proposed research program. The initial research efforts concentrated on applying the 10-, 20-, and 35-moment Gaussian-based closures to a series of standard two-dimensional non-reacting single species test flow problems, such as the flat plate, couette, channel, and rearward facing step flows, and to some other two-dimensional flows having geometries similar to those encountered in chemical-vapor deposition (CVD) reactors. Eigensystem analyses for these systems for the case of two spatial dimensions was carried out and efficient formulations of approximate Riemann solvers have been formulated using these eigenstructures. Formulations to include rotational non-equilibrium effects into the moment closure models for the treatment of polyatomic gases were explored, as the original formulations of the closure models were developed strictly for gases composed of monatomic molecules. The development of a software library and computer code for solving relaxing hyperbolic systems in two spatial dimensions of the type arising from the closure models was also initiated. The software makes use of high-resolution upwind finite-volumes schemes, multi-stage point implicit time stepping, and automatic adaptive mesh refinement (AMR) to solve the governing conservation equations for the moment closures. The initial phase of the code development was completed and a numerical investigation of the solutions of the 10-moment closure model for the simple two-dimensional test cases mentioned above was initiated. Predictions of the 10-moment model were compared to available theoretical solutions and the results of direct-simulation Monte Carlo

  16. Non-equilibrium vibrational and electron energy distribution functions in mtorr, high-electron-density nitrogen discharges and afterglows

    Science.gov (United States)

    Capitelli, M.; Colonna, G.; D’Ammando, G.; Laricchiuta, A.; Pietanza, L. D.

    2017-03-01

    Non-equilibrium vibrational distributions (vdf) and non-equilibrium electron energy distribution functions (eedf) in a nitrogen plasma at low pressure (mtorr) have been calculated by using a time-dependent plasma physics model coupled to the Boltzmann equation and heavy particle kinetics. Different case studies have been selected showing the non-equilibrium character of both vdf and eedf under discharge and post-discharge conditions in the presence of large concentrations of electrons. Particular attention is devoted to the electron-molecule resonant vibrational excitation cross sections acting in the whole vibrational ladder. The results in the post-discharge conditions show the interplay of superelastic vibrational and electronic collisions in forming structures in the eedf. The link between the present results in the mtorr afterglow regime with the existing eedf in the torr and atmospheric regimes is discussed.

  17. Quantification of Vortex Generation Due to Non-Equilibrium Electrokinetics at the Micro/Nanochannel Interface: Spectral Analysis

    Directory of Open Access Journals (Sweden)

    Seung Jun Lee

    2016-06-01

    Full Text Available We report on our investigation of a low Reynolds number non-equilibrium electrokinetic flow in a micro/nanochannel platform. Non-equilibrium electrokinetic phenomena include so-called concentration polarization in a moderate electric field and vortex formation in a high electric field. We conducted a spectral analysis of non-equilibrium electrokinetic vortices at a micro/nanochannel interface. We found that periodic vortices are formed while the frequency varies with the applied voltages and solution concentrations. At a frequency as high as 60 Hz, vortex generation was obtained with the strongest electric field and the lowest concentration. The power spectra show increasing frequency with increasing voltage or decreasing concentration. We expect that our spectral analysis results will be useful for micromixer developers in the micromachine research field.

  18. Non-equilibrium theory employing enthalpy-based equation of state for binary solid and porous mixtures

    Science.gov (United States)

    Nayak, B.; Menon, S. V. G.

    2017-04-01

    A generalized enthalpy-based equation of state, which includes thermal electron excitations and non-equilibrium thermal energies, is formulated for binary solid and porous mixtures. Our approach gives rise to an extra contribution to mixture volume, in addition to those corresponding to average mixture parameters. This excess term involves the difference of thermal enthalpies of the two components, which depend on their individual temperatures. We propose to use the Hugoniot of the components to compute non-equilibrium temperatures in the mixture. These are then compared with the average temperature obtained from the mixture Hugoniot, thereby giving an estimate of non-equilibrium effects. The Birch-Murnaghan model for the zero-temperature isotherm and a linear thermal model are then used for applying the method to several mixtures, including one porous case. Comparison with experimental data on the pressure-volume Hugoniot and shock speed versus particle speed shows good agreement.

  19. Non-equilibrium H$_2$ formation in the early Universe: energy exchanges, rate coefficients and spectral distortions

    CERN Document Server

    Coppola, Carla Maria; Galli, Daniele; Tennyson, Jonathan; Longo, Savino

    2012-01-01

    Energy exchange processes play a crucial role in the early Universe, affecting the thermal balance and the dynamical evolution of the primordial gas. In the present work we focus on the consequences of a non-thermal distribution of the level populations of H$_2$: first, we determine the excitation temperatures of vibrational transitions and the non-equilibrium heat transfer; second, we compare the modifications to chemical reaction rate coefficients with respect to the values obtained assuming local thermodynamic equilibrium; third, we compute the spectral distortions to the cosmic background radiation generated by the formation of H$_2$ in vibrationally excited levels. We conclude that non-equilibrium processes cannot be ignored in cosmological simulations of the evolution of baryons, although their observational signatures remain below current limits of detection. New fits to the equilibrium and non-equilibrium heat transfer functions are provided.

  20. Advancing non-equilibrium ARPES experiments by a 9.3 eV coherent ultrafast photon source

    Energy Technology Data Exchange (ETDEWEB)

    Cilento, F., E-mail: federico.cilento@elettra.eu [Elettra – Sincrotrone Trieste S.C.p.A., Strada Statale 14, km 163.5, Trieste 34149 (Italy); C.N.R. – I.O.M., Strada Statale 14, km 163.5, Trieste 34149 (Italy); Crepaldi, A. [Elettra – Sincrotrone Trieste S.C.p.A., Strada Statale 14, km 163.5, Trieste 34149 (Italy); Manzoni, G.; Sterzi, A. [Universitá degli Studi di Trieste, Via A. Valerio 2, Trieste 34127 (Italy); Zacchigna, M. [C.N.R. – I.O.M., Strada Statale 14, km 163.5, Trieste 34149 (Italy); Bugnon, Ph.; Berger, H. [Institute of Condensed Matter Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Parmigiani, F. [Elettra – Sincrotrone Trieste S.C.p.A., Strada Statale 14, km 163.5, Trieste 34149 (Italy); Universitá degli Studi di Trieste, Via A. Valerio 2, Trieste 34127 (Italy); International Faculty, University of Köln, 50937 Köln (Germany)

    2016-02-15

    The quest for investigating the non-equilibrium dynamics of the band structure of strongly-correlated materials over their entire Brillouin zone is a primary objective. However, the actual ultrafast UV light sources are not suitable for addressing several critical questions in the field. Here we report on a novel light source generating sub-250 fs, 9.3 eV photon energy light pulses at 250 kHz repetition rate, obtained via third-harmonic generation in Xe of frequency-doubled 50 fs laser pulses at 1.55 eV. By reporting the measured band dispersion of a Cu(111) crystal and the non-equilibrium dynamics of the Bi{sub 2}Se{sub 3} topological insulator, we prove that this source is suitable for studying the non-equilibrium dynamics of the entire Fermi surface of several complex materials, with high signal statistics and limited space-charge effect.

  1. Nonlinear convective analysis of a rotating Oldroyd-B nanofluid layer under thermal non-equilibrium utilizing Al2O3-EG colloidal suspension

    Science.gov (United States)

    Agarwal, Shilpi; Rana, Puneet

    2016-04-01

    In this paper, we examine a layer of Oldroyd-B nanofluid for linear and nonlinear regimes under local thermal non-equilibrium conditions for the classical Rayleigh-Bénard problem. The free-free boundary condition has been implemented with the flux for nanoparticle concentration being zero at edges. The Oberbeck-Boussinesq approximation holds good and for the rotational effect Coriolis term is included in the momentum equation. A two-temperature model explains the effect of local thermal non-equilibrium among the particle and fluid phases. The criteria for onset of stationary convection has been derived as a function of the non-dimensionalized parameters involved including the Taylor number. The assumed boundary conditions negate the possibility of overstability due to the absence of opposing forces responsible for it. The thermal Nusselt number has been obtained utilizing a weak nonlinear theory in terms of various pertinent parameters in the steady and transient mode, and has been depicted graphically. The main findings signify that the rotation has a stabilizing effect on the system. The stress relaxation parameter λ_1 inhibits whereas the strain retardation parameter λ_2 exhibits heat transfer utilizing Al2O3 nanofluids.

  2. Theory of non-equilibrium force measurements involving deformable drops and bubbles.

    Science.gov (United States)

    Chan, Derek Y C; Klaseboer, Evert; Manica, Rogerio

    2011-07-11

    Over the past decade, direct force measurements using the Atomic Force Microscope (AFM) have been extended to study non-equilibrium interactions. Perhaps the more scientifically interesting and technically challenging of such studies involved deformable drops and bubbles in relative motion. The scientific interest stems from the rich complexity that arises from the combination of separation dependent surface forces such as Van der Waals, electrical double layer and steric interactions with velocity dependent forces from hydrodynamic interactions. Moreover the effects of these forces also depend on the deformations of the surfaces of the drops and bubbles that alter local conditions on the nanometer scale, with deformations that can extend over micrometers. Because of incompressibility, effects of such deformations are strongly influenced by small changes of the sizes of the drops and bubbles that may be in the millimeter range. Our focus is on interactions between emulsion drops and bubbles at around 100 μm size range. At the typical velocities in dynamic force measurements with the AFM which span the range of Brownian velocities of such emulsions, the ratio of hydrodynamic force to surface tension force, as characterized by the capillary number, is ~10(-6) or smaller, which poses challenges to modeling using direct numerical simulations. However, the qualitative and quantitative features of the dynamic forces between interacting drops and bubbles are sensitive to the detailed space and time-dependent deformations. It is this dynamic coupling between forces and deformations that requires a detailed quantitative theoretical framework to help interpret experimental measurements. Theories that do not treat forces and deformations in a consistent way simply will not have much predictive power. The technical challenges of undertaking force measurements are substantial. These range from generating drop and bubble of the appropriate size range to controlling the

  3. Quantum Thermodynamics: Non-equilibrium 3D Description of an Unbounded System at an Atomistic Level

    Directory of Open Access Journals (Sweden)

    Vittorio Verda

    2010-03-01

    Full Text Available Quantum thermodynamics (QT provides a general framework for the description of non-equilibrium phenomena at any level, particularly the atomistic one. This theory and its dynamical postulate are used here to extend the work reported in previous papers of modeling the storage of hydrogen in an isolated system, by extending the modeling to 3D. The system is prepared in a state with the hydrogen molecules initially far from stable equilibrium after which the system is allowed to relax (evolve to a state of stable equilibrium. The so-called energy eigenvalue problem, which entails a many-body problem that for dilute and moderately dense gases can be solved using virial expansion theory, is used to determine the energy eigenvalues and eigenstates of the system. This information is then used in the nonlinear Beretta equation of motion of QT to determine the evolution of the thermodynamic state of the system as well as the spatial distributions of the hydrogen molecules in time. The results of our simulations provide a quantification of the entropy generated due to irreversibilities at an atomistic level and show in detail the trajectory of the state of the system as the hydrogen molecules, which are initially arranged to be far from the carbon nanotube, spread out in the system and eventually become more concentrated near the carbon atoms which make up the nanotube.

  4. General framework of the non-perturbative renormalization group for non-equilibrium steady states

    Energy Technology Data Exchange (ETDEWEB)

    Canet, Leonie [Laboratoire de Physique et Modelisation des Milieux Condenses, Universite Joseph Fourier Grenoble I-CNRS, BP166, 38042 Grenoble Cedex (France); Chate, Hugues [Service de Physique de l' Etat Condense, CEA-Saclay, 91191 Gif-sur-Yvette Cedex (France); Delamotte, Bertrand, E-mail: leonie.canet@grenoble.cnrs.fr [Laboratoire de Physique Theorique de la Matiere Condensee, Universite Pierre et Marie Curie, Paris VI, CNRS UMR 7600, 4 Place Jussieu, 75252 Paris Cedex 05 (France)

    2011-12-09

    This paper is devoted to presenting in detail the non-perturbative renormalization group (NPRG) formalism to investigate out-of-equilibrium systems and critical dynamics in statistical physics. The general NPRG framework for studying non-equilibrium steady states in stochastic models is expounded and fundamental technicalities are stressed, mainly regarding the role of causality and of It o-bar 's discretization. We analyze the consequences of It o-bar 's prescription in the NPRG framework and eventually provide an adequate regularization to encode them automatically. Besides, we show how to build a supersymmetric NPRG formalism with emphasis on time-reversal symmetric problems, whose supersymmetric structure allows for a particularly simple implementation of NPRG in which causality issues are transparent. We illustrate the two approaches on the example of Model A within the derivative expansion approximation at order 2 and check that they yield identical results. We stress, though, that the framework presented here also applies to genuinely out-of-equilibrium problems. (paper)

  5. Star formation and molecular hydrogen in dwarf galaxies: a non-equilibrium view

    Science.gov (United States)

    Hu, Chia-Yu; Naab, Thorsten; Walch, Stefanie; Glover, Simon C. O.; Clark, Paul C.

    2016-06-01

    We study the connection of star formation to atomic (H I) and molecular hydrogen (H2) in isolated, low-metallicity dwarf galaxies with high-resolution (mgas = 4 M⊙, Nngb = 100) smoothed particle hydrodynamics simulations. The model includes self-gravity, non-equilibrium cooling, shielding from a uniform and constant interstellar radiation field, the chemistry of H2 formation, H2-independent star formation, supernova feedback and metal enrichment. We find that the H2 mass fraction is sensitive to the adopted dust-to-gas ratio and the strength of the interstellar radiation field, while the star formation rate is not. Star formation is regulated by stellar feedback, keeping the gas out of thermal equilibrium for densities n feedback at small radii and by the assumed radiation field at large radii. The decreasing cold gas fractions result in a rapid increase in depletion time (up to 100 Gyr) for total gas surface densities Σ _{H I+H_2} ≲ 10 M⊙ pc-2, in agreement with observations of dwarf galaxies in the Kennicutt-Schmidt plane.

  6. Collective non-equilibrium dynamics at surfaces and the spatio-temporal edge

    Science.gov (United States)

    Marcuzzi, M.; Gambassi, A.; Pleimling, M.

    2012-11-01

    Symmetries represent a fundamental constraint for physical systems and relevant new phenomena often emerge as a consequence of their breaking. An important example is provided by space- and time-translational invariance in statistical systems, which hold at a coarse-grained scale in equilibrium and are broken by spatial and temporal boundaries, the former being implemented by surfaces —unavoidable in real samples— the latter by some initial condition for the dynamics which causes a non-equilibrium evolution. While the separate effects of these two boundaries are well understood, we demonstrate here that additional, unexpected features arise upon approaching the effective edge formed by their intersection. For this purpose, we focus on the classical semi-infinite Ising model with spin-flip dynamics evolving out of equilibrium at its critical point. Considering both subcritical and critical values of the coupling among surface spins, we present numerical evidence of a scaling regime with universal features which emerges upon approaching the spatio-temporal edge and we rationalise these findings within a field-theoretical approach.

  7. Electrical characteristics of TIG arcs in argon from non-equilibrium modelling and experiment

    Science.gov (United States)

    Baeva, Margarita; Uhrlandt, Dirk; Siewert, Erwan

    2016-09-01

    Electric arcs are widely used in industrial processes so that a thorough understanding of the arc characteristics is highly important to industrial research and development. TIG welding arcs operated with pointed electrodes made of tungsten, doped with cerium oxide, have been studied in order to analyze in detail the electric field and the arc voltage. Newly developed non-equilibrium model of the arc is based on a complete diffusion treatment of particle fluxes, a generalized form of Ohm's law, and boundary conditions accounting for the space-charge sheaths within the magneto-hydrodynamic approach. Experiments have been carried out for electric currents in the range 5-200 A. The electric arc has been initiated between a WC20 cathode and a water-cooled copper plate placed 0.8 mm from each other. The arc length has been continuously increased by 0.1 mm up to 15 mm and the arc voltage has been simultaneously recorded. Modelling and experimental results will be presented and discussed.

  8. Non-equilibrium EAGLE zoom simulations of oxygen in the low-redshift circumgalactic medium

    CERN Document Server

    Oppenheimer, Benjamin D; Schaye, Joop; Rahmati, Alireza; Richings, Alexander J; Trayford, James W; Tumlinson, Jason; Bower, Richard G; Schaller, Matthieu; Theuns, Tom

    2016-01-01

    We introduce a series of cosmological hydrodynamical simulations of Lstar (M_200 =10^11.7 - 10^12.3 Msol) and group-sized (M_200 = 10^12.7 - 10^13.3 Msol) haloes run with the model used for the EAGLE project, which additionally includes a non-equilibrium ionization and cooling module that follows 136 ions. The simulations reproduce the observed correlation, revealed by COS-Halos at z~0.2, between O VI column density at impact parameters b 10^6 K) promotes oxygen to higher ionization states, suppressing the O VI column density. The observed NO VI-sSFR correlation therefore does not imply a causal link, but reflects the changing characteristic ionization state of oxygen as halo mass is increased. In spite of the mass-dependence of the oxygen ionization state, the most abundant circumgalactic oxygen ion in both Lstar and group haloes is O VII; O VI accounts for only 0.1% of the oxygen in group haloes and 0.9-1.3% with Lstar haloes. Nonetheless, the metals traced by O VI absorbers represent a fossil record of th...

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

    CERN Document Server

    Kretchmer, Joshua S

    2016-01-01

    We introduce the real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics. 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. The environment is efficiently represented by a quantum bath of the same size as the impurity. The equations of motion of the coupled impurity and bath embedding problem are then derived using the time-dependent variational principle. The accuracy of real-time DMET is benchmarked through comparisons with reference time-dependent density matrix renormalization group (DMRG) calculations for a variety of quantum quenches in the single impurity Anderson model (SIAM). We find that real-time DMET is able to correctly capture the non-trivial behavior in the Kondo regime of the SIAM and is able to simulate system sizes beyond those that can be treated by time-dependent DMRG. Our results demon...

  10. Determination of epinephrine by the Briggs-Rauscher oscillating system using non-equilibrium stationary state

    Directory of Open Access Journals (Sweden)

    Gao Jinzhang

    2012-01-01

    Full Text Available A highly sensitive method for the determination of epinephrine was proposed, which was based on the perturbation of epinephrine to Briggs-Rauscher oscillating system involving malonic acid, Mn2+, H+, IO3 - and H2O2 at non-equilibrium stationary state. The concentration of KIO3 was chosen as a control parameter to find the bifurcation point in this paper. Results showed that a well linear relationship between the difference of potential and the negative logarithm concentrations of epinephrine existed in the range of 1.1×10-7~5.2×10-9 mol L-1 with a lower detection limit of 6.8×10-10mol L-1 and a correlation coefficient of 0.9974. Compared to the classical oscillating reaction, this method has a lower detection limit and wider linear range. The effects of some foreign species, which may possibly be existed with epinephrine, on determination were also investigated. The proposed method has been successfully used to determine the epinephrine both in the serum and adrenaline hydrochloride injection.

  11. Inactivation Process of Penicillium digitatum Spores Treated with Non-equilibrium Atmospheric Pressure Plasma

    Science.gov (United States)

    Hashizume, Hiroshi; Ohta, Takayuki; Mori, Takumi; Iseki, Sachiko; Hori, Masaru; Ito, Masafumi

    2013-05-01

    To investigate the inactivation process of Penicillium digitatum spores treated with a non-equilibrium atmospheric pressure plasma, the spores were observed using a fluorescent microscope and compared with those treated with ultraviolet (UV) light or moist heat. The treated spores were stained with two fluorescent dyes, 1,1'-dioctadecyl-3,3,Y,3'-tetramethylindocarbocyanine perchlorate (DiI) and diphenyl-1-pyrenylphosphine (DPPP). The intracellular organelles as well as cell membranes in the spores treated with the plasma were stained with DiI without a major morphological change of the membranes, while the organelles were never stained in the spores treated with UV light or moist heat. Moreover, DPPP staining revealed that organelles were oxidized by plasma treatment unlike UV light or moist heat treatments. These results suggest that only plasma treatment induces a minor structural change or functional inhibition of cell membranes, which leads to the oxidation of the intracellular organelles without a major deformation of the membranes through the penetration of reactive oxygen species generated by the plasma into the cell.

  12. Star formation and molecular hydrogen in dwarf galaxies: a non-equilibrium view

    CERN Document Server

    Hu, Chia-Yu; Walch, Stefanie; Glover, Simon C O; Clark, Paul C

    2015-01-01

    We study the connection of star formation to atomic (HI) and molecular hydrogen (H$_2$) in isolated, low metallicity dwarf galaxies with high-resolution ($m_{\\rm gas}$ = 4 M$_\\odot$, $N_{\\rm ngb}$ = 100) SPH simulations. The model includes self-gravity, non-equilibrium cooling, shielding from an interstellar radiation field, the chemistry of H$_2$ formation, H$_2$-independent star formation, supernova feedback and metal enrichment. We find that the H$_2$ mass fraction is sensitive to the adopted dust-to-gas ratio and the strength of the interstellar radiation field, while the star formation rate is not. Star formation is regulated by stellar feedback, keeping the gas out of thermal equilibrium for densities $n <$ 1 cm$^{-3}$. Because of the long chemical timescales, the H$_2$ mass remains out of chemical equilibrium throughout the simulation. Star formation is well-correlated with cold ( T $\\leqslant$ 100 K ) gas, but this dense and cold gas - the reservoir for star formation - is dominated by HI, not H$_2...

  13. Numerical Study of Turbulent Mixing Layers with Non-Equilibrium Ionization Calculations

    CERN Document Server

    Kwak, Kyujin

    2010-01-01

    Highly ionized species such as C IV, N V, and O VI, are commonly observed in diffuse gas in various places in the universe, such as in our Galaxy's disk and halo, high velocity clouds (HVCs), external galaxies, and the intergalactic medium. One possible mechanism for producing high ions is turbulent mixing of cool gas with hotter gas in locations where these gases slide past each other. By using hydrodynamic simulations with radiative cooling and non-equilibrium ionization (NEI) calculations, we investigate the physical properties of turbulent mixing layers and the production of high ions. We find that most of the mixing occurs on the hot side of the hot/cool interface and that the mixed region separates into a tepid zone containing radiatively cooled, C IV-rich gas and a hotter zone which is rich in C IV, N V, and O VI. Mixing occurs faster than ionization or recombination, making the mixed gas a better source of C IV, N V, and O VI in our NEI simulations than in our collisional ionization equilibrium (CIE) ...

  14. State-to-state modeling of non equilibrium low-temperature atomic plasmas

    Science.gov (United States)

    Bultel, Arnaud; Morel, Vincent; Annaloro, Julien; Druguet, Marie-Claude

    2017-03-01

    The most relevant approach leading to a thorough understanding of the behavior of non equilibrium atomic plasmas is to elaborate state-to-state models in which the mass conservation equation is applied directly to atoms or ions on their excited states. The present communication reports the elaboration of such models and the results obtained. Two situations close to each other are considered. First, the plasmas produced behind shock fronts obtained in ground test facilities (shock tubes) or during planetary atmospheric entries of spacecrafts are discussed. We focused our attention on the nitrogen case for which a complete implementation of the CoRaM-N2 collisional-radiative model has been performed in a steady one-dimensional computation code based on the Rankine-Hugoniot assumptions. Second, the plasmas produced by the interaction between an ultra short laser pulse and a tungsten sample are discussed in the framework of the elaboration of the Laser-Induced Breakdown Spectroscopy (LIBS) technique. In the present case, tungsten has been chosen in the purpose of validating an in situ experimental method able to provide the elemental composition of the divertor wall of a tokamak like WEST or ITER undergoing high energetic deuterium and tritium nuclei fluxes.

  15. A non-equilibrium ionization model of the Local Bubble (I)

    CERN Document Server

    de Avillez, Miguel A

    2012-01-01

    Aims. We present the first high-resolution non-equilibrium ionization simulation of the joint evolution of the Local Bubble (LB) and Loop I superbubbles in the turbulent supernova-driven interstellar medium (ISM). The time variation and spatial distribution of the Li-like ions Civ, Nv, and Ovi inside the LB are studied in detail. Methods. This work uses the parallel adaptive mesh refinement code EAF-PAMR coupled to the newly developed atomic and molecular plasma emission module E(A+M)PEC, featuring the time-dependent calculation of the ionization structure of H through Fe, using the latest revision of solar abundances. The finest AMR resolution is 1 pc within a grid that covers a representative patch of the Galactic disk (with an area of 1 kpc^2 in the midplane) and halo (extending up to 10 kpc above and below the midplane). Results. The evolution age of the LB is derived by the match between the simulated and observed absorption features of the Li-like ions Civ, Nv, and Ovi . The modeled LB current evolution...

  16. Relaxation of non-equilibrium entanglement networks in thin polymer films

    Science.gov (United States)

    Fowler, Paul; McGraw, Joshua; Ferrari, Melissa; Dalnoki-Veress, Kari

    2013-03-01

    It is well established that polymer films, prepared by spincoating, inherit non-equilibrium chain conformations which can affect macroscopic film properties. Here we present the results of crazing measurements that elucidate the non-equilibirum chain configurations in spin-cast films. Furthermore, we find that the entanglement network equilibrates on a time scale comparable to one reptation time. In a second set of experiments, we confine polymers to films with thickness comparable to the molecular size. By stacking two such films at room temperature, a glassy bilayer film with a buried entropic interface is created. According to Silberberg's reflection principle, such an interface has an entropic cost associated with the restricted configurations of molecules that cannot cross the mid-plane of the bilayer. In the melt, the interface heals as chains from the two layers mix and entangle with one another. Crazing measurements reveal that it takes less than one bulk reptation time for a bilayer to become indistinguishable from a single film.

  17. Non-equilibrium responses of PFPE lubricants with various atomistic/molecular architecture at elevated temperature

    Science.gov (United States)

    Chung, Pil Seung; Song, Wonyup; Biegler, Lorenz T.; Jhon, Myung S.

    2017-05-01

    During the operation of hard disk drive (HDD), the perfluoropolyether (PFPE) lubricant experiences elastic or viscous shear/elongation deformations, which affect the performance and reliability of the HDD. Therefore, the viscoelastic responses of PFPE could provide a finger print analysis in designing optimal molecular architecture of lubricants to control the tribological phenomena. In this paper, we examine the rheological responses of PFPEs including storage (elastic) and loss (viscous) moduli (G' and G″) by monitoring the time-dependent-stress-strain relationship via non-equilibrium molecular dynamics simulations. We analyzed the rheological responses by using Cox-Merz rule, and investigated the molecular structural and thermal effects on the solid-like and liquid-like behaviors of PFPEs. The temperature dependence of the endgroup agglomeration phenomena was examined, where the functional endgroups are decoupled as the temperature increases. By analyzing the relaxation processes, the molecular rheological studies will provide the optimal lubricant selection criteria to enhance the HDD performance and reliability for the heat-assisted magnetic recording applications.

  18. Improvements on non-equilibrium and transport Green function techniques: The next-generation TRANSIESTA

    Science.gov (United States)

    Papior, Nick; Lorente, Nicolás; Frederiksen, Thomas; García, Alberto; Brandbyge, Mads

    2017-03-01

    We present novel methods implemented within the non-equilibrium Green function code (NEGF) TRANSIESTA based on density functional theory (DFT). Our flexible, next-generation DFT-NEGF code handles devices with one or multiple electrodes (Ne ≥ 1) with individual chemical potentials and electronic temperatures. We describe its novel methods for electrostatic gating, contour optimizations, and assertion of charge conservation, as well as the newly implemented algorithms for optimized and scalable matrix inversion, performance-critical pivoting, and hybrid parallelization. Additionally, a generic NEGF ;post-processing; code (TBTRANS/PHTRANS) for electron and phonon transport is presented with several novelties such as Hamiltonian interpolations, Ne ≥ 1 electrode capability, bond-currents, generalized interface for user-defined tight-binding transport, transmission projection using eigenstates of a projected Hamiltonian, and fast inversion algorithms for large-scale simulations easily exceeding 106 atoms on workstation computers. The new features of both codes are demonstrated and bench-marked for relevant test systems.

  19. Non-Equilibrium Plasma Processing for the Preparation of Antibacterial Surfaces

    Directory of Open Access Journals (Sweden)

    Eloisa Sardella

    2016-06-01

    Full Text Available Non-equilibrium plasmas offer several strategies for developing antibacterial surfaces that are able to repel and/or to kill bacteria. Due to the variety of devices, implants, and materials in general, as well as of bacteria and applications, plasma assisted antibacterial strategies need to be tailored to each specific surface. Nano-composite coatings containing inorganic (metals and metal oxides or organic (drugs and biomolecules compounds can be deposited in one step, and used as drug delivery systems. On the other hand, functional coatings can be plasma-deposited and used to bind antibacterial molecules, for synthesizing surfaces with long lasting antibacterial activity. In addition, non-fouling coatings can be produced to inhibit the adhesion of bacteria and reduce the formation of biofilm. This paper reviews plasma-based strategies aimed to reduce bacterial attachment and proliferation on biomedical materials and devices, but also onto materials used in other fields. Most of the activities described have been developed in the lab of the authors.

  20. Non-Equilibrium Plasma Processing for the Preparation of Antibacterial Surfaces

    Science.gov (United States)

    Sardella, Eloisa; Palumbo, Fabio; Camporeale, Giuseppe; Favia, Pietro

    2016-01-01

    Non-equilibrium plasmas offer several strategies for developing antibacterial surfaces that are able to repel and/or to kill bacteria. Due to the variety of devices, implants, and materials in general, as well as of bacteria and applications, plasma assisted antibacterial strategies need to be tailored to each specific surface. Nano-composite coatings containing inorganic (metals and metal oxides) or organic (drugs and biomolecules) compounds can be deposited in one step, and used as drug delivery systems. On the other hand, functional coatings can be plasma-deposited and used to bind antibacterial molecules, for synthesizing surfaces with long lasting antibacterial activity. In addition, non-fouling coatings can be produced to inhibit the adhesion of bacteria and reduce the formation of biofilm. This paper reviews plasma-based strategies aimed to reduce bacterial attachment and proliferation on biomedical materials and devices, but also onto materials used in other fields. Most of the activities described have been developed in the lab of the authors. PMID:28773637

  1. Stochastic Equations in Black Hole Backgrounds and Non-equilibrium Fluctuation Theorems

    CERN Document Server

    Iso, Satoshi

    2011-01-01

    We apply the non-equilibrium fluctuation theorems developed in the statistical physics to the thermodynamics of black hole horizons. In particular, we consider a scalar field in a black hole background. The system of the scalar field behaves stochastically due to the absorption of energy into the black hole and emission of the Hawking radiation from the black hole horizon. We derive the stochastic equations, i.e. Langevin and Fokker-Planck equations for a scalar field in a black hole background in the $\\hbar \\rightarrow 0$ limit with the Hawking temperature $\\hbar \\kappa/2 \\pi$ fixed. We consider two cases, one confined in a box with a black hole at the center and the other in contact with a heat bath with temperature different from the Hawking temperature. In the first case, the system eventually becomes equilibrium with the Hawking temperature while in the second case there is an energy flow between the black hole and the heat bath. Applying the fluctuation theorems to these cases, we derive the generalized...

  2. Ultrafast non-equilibrium carrier dynamics in semiconductor laser mode-locking

    Science.gov (United States)

    Hader, J.; Scheller, M.; Laurain, A.; Kilen, I.; Baker, C.; Moloney, J. V.; Koch, S. W.

    2017-01-01

    Experimental and theoretical results on the mode-locking dynamics in vertical-external-cavity surface-emitting lasers with semiconductor and graphene saturable absorber mirrors are reviewed with an emphasis on the role of nonequilibrium carrier effects. The systems are studied theoretically using a fully microscopic many-body model for the carrier distributions and polarizations, coupled to Maxwell’s equations for the field propagation. Pump-probe measurements are performed with (sub-) 100 fs resolution. The analysis shows that the non-equilibrium carrier dynamics in the gain quantum-wells and saturable absorber medium significantly influences the system’s response and the resulting mode-locked pulses. The microscopic model is used to study the pulse build up from spontaneous emission noise and to determine the dependence of achievable pulse lengths and fluences on the amounts of saturable and non-saturable losses and the optical gain. The change of the group delay dispersion (GDD) on the pump level is examined and the dependence of the pulse lengths on the total amount of GDD is demonstrated experimentally. Theory-experiment comparisons are used to demonstrate the highly quantitative accuracy of the fully microscopic modeling.

  3. On the relevance of the maximum entropy principle in non-equilibrium statistical mechanics

    Science.gov (United States)

    Auletta, Gennaro; Rondoni, Lamberto; Vulpiani, Angelo

    2017-07-01

    At first glance, the maximum entropy principle (MEP) apparently allows us to derive, or justify in a simple way, fundamental results of equilibrium statistical mechanics. Because of this, a school of thought considers the MEP as a powerful and elegant way to make predictions in physics and other disciplines, rather than a useful technical tool like others in statistical physics. From this point of view the MEP appears as an alternative and more general predictive method than the traditional ones of statistical physics. Actually, careful inspection shows that such a success is due to a series of fortunate facts that characterize the physics of equilibrium systems, but which are absent in situations not described by Hamiltonian dynamics, or generically in nonequilibrium phenomena. Here we discuss several important examples in non equilibrium statistical mechanics, in which the MEP leads to incorrect predictions, proving that it does not have a predictive nature. We conclude that, in these paradigmatic examples, an approach that uses a detailed analysis of the relevant aspects of the dynamics cannot be avoided.

  4. 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.

  5. Earliest stages of the non-equilibrium in axially symmetric, self-gravitating, dissipative fluids

    CERN Document Server

    Herrera, L; Ospino, J; Carot, J

    2016-01-01

    We report a study on axially and reflection symmetric dissipative fluids, just after its departure from hydrostatic and thermal equilibrium, at the smallest time scale at which the first signs of dynamic evolution appear. Such a time scale is smaller than the thermal relaxation time, the thermal adjustment time and the hydrostatic time. It is obtained that the onset of non--equilibrium will critically depend on a single function directly related to the time derivative of the vorticity. Among all fluid variables (at the time scale under consideration), only the tetrad component of the anisotropic tensor in the subspace orthogonal to the four--velocity and the Killing vector of axial symmetry, shows signs of dynamic evolution. Also, the first step towards a dissipative regime begins with a non--vanishing time derivative of the heat flux component along the meridional direction. The magnetic part of the Weyl tensor vanishes (not so its time derivative), indicating that the emission of gravitational radiation wil...

  6. Non-equilibrium crystalline superconductors in Zr-Si binary alloys rapidly quenched from melts

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, A.; Takahashi, Y.; Toyota, N.; Fukase, T.; Masumoto, T. (Tohoku Univ., Sendai (Japan). Research Inst. for Iron, Steel and Other Metals)

    1982-08-01

    The new non-equilibrium superconductor with a bcc structure has been found in rapidly quenched Zr-Si alloys. The silicon content in the bcc alloys was limited to the narrow range between 8 and 11 at%. The bcc alloys showed a superconducting transition whose temperature increased from 3.20 to 3.84 K with decreasing silicon content. The upper critical magnetic field and the critical current density for Zr/sub 92/Si/sub 8/ alloy were of the order of 3.58 x 10/sup 6/ Am/sup -1/ at 2.0 K and 3.3 x 10/sup 6/ Am/sup -2/ at 2.42 K in the absence of an applied field. The upper critical field gradient at the transition temperature and the electrical resistivity at 4.2 K were about -1.82 x 10/sup 6/ Am/sup -1/ K/sup -1/ and about 150 ..mu cap omega.. cm. The Ginzburg-Landau parameter and coherence length were estimated to be about 65 and 6.3 nm, respectively, from these experimental values by using the Ginzburg-Landau-Abrikosov-Gorkov theory and hence it is concluded that the present bcc alloys are extremely 'soft' type-II superconductors with a high degree of dirtiness.

  7. Valence-bond non-equilibrium solvation model for a twisting monomethine cyanine

    Science.gov (United States)

    McConnell, Sean; McKenzie, Ross H.; Olsen, Seth

    2015-02-01

    We propose and analyze a two-state valence-bond model of non-equilibrium solvation effects on the excited-state twisting reaction of monomethine cyanines. Suppression of this reaction is thought responsible for environment-dependent fluorescence yield enhancement in these dyes. Fluorescence is quenched because twisting is accompanied via the formation of dark twisted intramolecular charge-transfer (TICT) states. For monomethine cyanines, where the ground state is a superposition of structures with different bond and charge localizations, there are two possible twisting pathways with different charge localizations in the excited state. For parameters corresponding to symmetric monomethines, the model predicts two low-energy twisting channels on the excited-state surface, which leads to a manifold of TICT states. For typical monomethines, twisting on the excited state surface will occur with a small barrier or no barrier. Changes in the solvation configuration can differentially stabilize TICT states in channels corresponding to different bonds, and that the position of a conical intersection between adiabatic states moves in response to solvation to stabilize either one channel or the other. There is a conical intersection seam that grows along the bottom of the excited-state potential with increasing solvent polarity. For monomethine cyanines with modest-sized terminal groups in moderately polar solution, the bottom of the excited-state potential surface is completely spanned by a conical intersection seam.

  8. Radiation-induced non-equilibrium redox chemistry of plutonium: implications for environmental migration

    Energy Technology Data Exchange (ETDEWEB)

    Haschke, J M; Siekhaus, W J

    2009-02-11

    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{sub 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).

  9. Towards understanding how surface life can affect interior geological processes: a non-equilibrium thermodynamics approach

    Directory of Open Access Journals (Sweden)

    J. G. Dyke

    2011-06-01

    Full Text Available Life has significantly altered the Earth's atmosphere, oceans and crust. To what extent has it also affected interior geological processes? To address this question, three models of geological processes are formulated: mantle convection, continental crust uplift and erosion and oceanic crust recycling. These processes are characterised as non-equilibrium thermodynamic systems. Their states of disequilibrium are maintained by the power generated from the dissipation of energy from the interior of the Earth. Altering the thickness of continental crust via weathering and erosion affects the upper mantle temperature which leads to changes in rates of oceanic crust recycling and consequently rates of outgassing of carbon dioxide into the atmosphere. Estimates for the power generated by various elements in the Earth system are shown. This includes, inter alia, surface life generation of 264 TW of power, much greater than those of geological processes such as mantle convection at 12 TW. This high power results from life's ability to harvest energy directly from the sun. Life need only utilise a small fraction of the generated free chemical energy for geochemical transformations at the surface, such as affecting rates of weathering and erosion of continental rocks, in order to affect interior, geological processes. Consequently when assessing the effects of life on Earth, and potentially any planet with a significant biosphere, dynamical models may be required that better capture the coupled nature of biologically-mediated surface and interior processes.

  10. Application of non-equilibrium plasmas in treatment of wool fibers and seeds

    Science.gov (United States)

    Petrović, Zoran

    2003-10-01

    While large effort is under way to achieve stable, large area, non-equilibrium plasma reactors operating at atmospheric pressure we should still consider application of low pressure reactors, which provide well defined, easily controlled reactive plasmas. Therefore, the application of low pressure rf plasmas for the treatment of wool and seed was investigated. The studies were aimed at establishing optimal procedure to achieve better wettability, dyeability and printability of wool. Plasma treatment led to a modification of wool fiber topography and formation of new polar functional groups inducing the increase of wool hydrophylicity. Plasma activation of fiber surface was also used to achieve better binding of biopolymer chitosan to wool in order to increase the content of favorable functional groups and thus improving sorption properties of recycled wool fibers for heavy metal ions and acid dyes. In another study, the increase of germination percentage of seeds induced by plasmas was investigated. We have selected dry (unimbibed) Empress tree seeds (Paulownia tomentosa Steud.). Empress tree seed has been studied extensively and its mechanism of germination is well documented. Germination of these seeds is triggered by light in a limited range of wavelengths. Interaction between activated plasma particles and seed, inside the plasma reactor, leads to changes in its surface topography, modifies the surface layer and increases the active surface area. Consequently, some bioactive nitrogeneous compounds could be bound to the activated surface layer causing the increment of germination percentage.

  11. Non-equilibrium simulations of thermally induced electric fields in water

    CERN Document Server

    Wirnsberger, Peter; Šarić, Anđela; Neumann, Martin; Dellago, Christoph; Frenkel, Daan

    2016-01-01

    Using non-equilibrium molecular dynamics simulations, Bresme and co-workers recently demonstrated that water molecules align in response to an imposed temperature gradient. Employing the Wolf method to truncate the electrostatic interactions, they reported electric fields as high as $3.7\\times10^8~\\text{V/m}$ for a gradient of about $5.2~\\text{K/\\AA}$ [J. Chem. Phys. 139, 014504 (2013)]. Recently, however, Bresme and co-workers [J. Chem. Phys. 143, 036101 (2015)] advocated that the Wolf method overestimates the induced electric field by an order of magnitude. In this work, we investigate how thermally induced fields depend on the underlying treatment of long-ranged interactions. Our key findings are: Firstly, under identical conditions we find the peak field strength to be $2.8\\times 10^7~\\text{V/m}$ and $2.2\\times 10^7~\\text{V/m}$ for Ewald summation and the Wolf method, respectively. Our value for the short-ranged method is therefore an order of magnitude lower than the original value reported by Bresme and...

  12. Transonic flow of moist air around an NACA 0012 airfoil with non-equilibrium condensation

    Institute of Scientific and Technical Information of China (English)

    LI Liang; SUN Xiuling; FENG Zhenping; LI Guojun

    2005-01-01

    The classical condensation model of water vapor is coupled with the Euler equations to calculate transonic flows of moist air with non-equilibrium condensation. By means of this model, numerical computations are implemented to investigate the aerodynamic characteristics of an NACA 0012 airfoil in transonic flows of moist air at various angles of attack and relative humidities, and the results are compared with those in dry air flows. For different angles of attack considered at 50 % relative humidity, the lift decreases 30 % -40 %.The pressure drag increases when the angle of attack is smaller than 1.4° and decreases when higher than 1.4°. At zero angle of attack,with the relative humidity rising from zero to 90 %, the pressure drag increases exponentially. At 90 % relative humidity, the pressure drag increases 160 %, and self-oscillation takes place periodically and alternately over the upper and lower surfaces of the airfoil. The oscillation is caused by the interactions of local supersonic flow and heat release in the condensation process.

  13. Non-equilibrium responses of PFPE lubricants with various atomistic/molecular architecture at elevated temperature

    Directory of Open Access Journals (Sweden)

    Pil Seung Chung

    2017-05-01

    Full Text Available During the operation of hard disk drive (HDD, the perfluoropolyether (PFPE lubricant experiences elastic or viscous shear/elongation deformations, which affect the performance and reliability of the HDD. Therefore, the viscoelastic responses of PFPE could provide a finger print analysis in designing optimal molecular architecture of lubricants to control the tribological phenomena. In this paper, we examine the rheological responses of PFPEs including storage (elastic and loss (viscous moduli (G′ and G″ by monitoring the time-dependent-stress-strain relationship via non-equilibrium molecular dynamics simulations. We analyzed the rheological responses by using Cox-Merz rule, and investigated the molecular structural and thermal effects on the solid-like and liquid-like behaviors of PFPEs. The temperature dependence of the endgroup agglomeration phenomena was examined, where the functional endgroups are decoupled as the temperature increases. By analyzing the relaxation processes, the molecular rheological studies will provide the optimal lubricant selection criteria to enhance the HDD performance and reliability for the heat-assisted magnetic recording applications.

  14. Non-equilibrium thermodynamics and collective vibrational modes of liquid water in an inhomogeneous electric field.

    Science.gov (United States)

    Wexler, Adam D; Drusová, Sandra; Woisetschläger, Jakob; Fuchs, Elmar C

    2016-06-28

    In this experiment liquid water is subject to an inhomogeneous electric field (∇(2)Ea≈ 10(10) V m(2)) using a high voltage (20 kV) point-plane electrode system. Using interferometry it was found that the application of a strong electric field gradient to water generates local changes in the refractive index of the liquid, polarizes the surface and creates a downward moving electro-convective jet. A maximum temperature difference of 1 °C is measured in the immediate vicinity of the point electrode. Raman spectroscopy performed on water reveals an enhancement of the vibrational collective modes (3250 cm(-1)) as well as an increase in the local mode (3490 cm(-1)) energy. This bimodal enhancement indicates that the spectral changes are not due to temperature changes. The intense field gradient thus establishes an excited subpopulation of vibrational oscillators far from thermal equilibrium. Delocalization of the collective vibrational mode spatially expands this excited population beyond the microscale. Hindered rotational freedom due to electric field pinning of molecular dipoles retards the heat flow and generates a chemical potential gradient. These changes are responsible for the observed changes in the refractive index and temperature. It is demonstrated that polar liquids can thus support local non-equilibrium thermodynamic transient states critical to biochemical and environmental processes.

  15. The effect of turbulent fluctuations on the relaxation of thermal non-equilibrium

    Science.gov (United States)

    Khurshid, Sualeh; Donzis, Diego

    2015-11-01

    In many engineering and natural systems, the microscopic behavior of constituent molecules can affect the macroscopic behavior of the flow. This interaction is significant when the two phenomena have commensurate time scales. We study the effect of turbulence on the relaxation of thermal non-equilibrium (TNE), in particular vibrational energy relaxation, using direct numerical simulation (DNS). First order effects are observed in the evolution of both vibrational energy and turbulence. For example, the rate of decay of kinetic energy is accelerated and temperature fluctuations are amplified. Analytic expressions for equilibrium vibrational energy, Ev*,and characteristic relaxation time scale, τv, are compared against DNS data and used to understand features of the decay. This decay can be divided into two regimes, one dominated by TNE exchanges in time scales of the order of τv followed by a turbulence decay. Between the two regimes, some vibrationally hot flows become cold before reaching equilibrium. This reflects an aspect of the strong coupling between turbulence and TNE in both regimes. Compressiblity effects, quantified by turbulent Mach number (Mt), are also discussed.

  16. Non-equilibrium dynamics contribute to ion selectivity in the KcsA channel.

    Directory of Open Access Journals (Sweden)

    Van Ngo

    Full Text Available The ability of biological ion channels to conduct selected ions across cell membranes is critical for the survival of both animal and bacterial cells. Numerous investigations of ion selectivity have been conducted over more than 50 years, yet the mechanisms whereby the channels select certain ions and reject others are not well understood. Here we report a new application of Jarzynski's Equality to investigate the mechanism of ion selectivity using non-equilibrium molecular dynamics simulations of Na(+ and K(+ ions moving through the KcsA channel. The simulations show that the selectivity filter of KcsA adapts and responds to the presence of the ions with structural rearrangements that are different for Na(+ and K(+. These structural rearrangements facilitate entry of K(+ ions into the selectivity filter and permeation through the channel, and rejection of Na(+ ions. A mechanistic model of ion selectivity by this channel based on the results of the simulations relates the structural rearrangement of the selectivity filter to the differential dehydration of ions and multiple-ion occupancy and describes a mechanism to efficiently select and conduct K(+. Estimates of the K(+/Na(+ selectivity ratio and steady state ion conductance for KcsA from the simulations are in good quantitative agreement with experimental measurements. This model also accurately describes experimental observations of channel block by cytoplasmic Na(+ ions, the "punch through" relief of channel block by cytoplasmic positive voltages, and is consistent with the knock-on mechanism of ion permeation.

  17. Effects of the non-parabolic kinetic energy on non-equilibrium polariton condensates.

    Science.gov (United States)

    Pinsker, F; Ruan, X; Alexander, T J

    2017-05-15

    In the study of non-equilibrium polariton condensates it is usually assumed that the dispersion relation of polaritons is parabolic in nature. We show that considering the true non-parabolic kinetic energy of polaritons leads to significant changes in the behaviour of the condensate due to the curvature of the dispersion relation and the possibility of transfer of energy to high wavenumber components in the condensate spatial profile. We present explicit solutions for plane waves and linear excitations, and identify the differences in the theoretical predictions between the parabolic and non-parabolic mean-field models, showing the possibility of symmetry breaking in the latter. We then consider the evolution of wavepackets and show that self-localisation effects may be observed due to the curvature of the dispersion relation. Finally, we revisit the dynamics of dark soliton trains and show that additional localized density excitations may emerge in the dynamics due to the excitation of high frequency components, mimicking the appearance of near-bright solitary waves over short timescales.

  18. Silicon surface modifications produced by non-equilibrium He, Ne and Kr plasma jets

    Science.gov (United States)

    Engelhardt, Max; Kartaschew, Konstantin; Bibinov, Nikita; Havenith, Martina; Awakowicz, Peter

    2017-01-01

    In this publication the interaction of non-equilibrium plasma jets (N-APPJs) with silicon surfaces is studied. The N-APPJs are operated with He, Ne and Kr gas flows under atmospheric pressure conditions. Plasma bullets are produced by the He and Ne N-APPJs, while a filamentary discharge is ignited in the Kr flow. All these N-APPJs produce remarkable traces on silicon wafer surfaces treated in their effluents. Different types of etching tracks, blisters and crystals are observed on the treated surfaces. The observed traces and surface modifications of silicon wafers are analyzed with optical, atomic-force, scanning electron and Raman microscopes. Based on the material composition within the etching tracks and the position and dimension of blisters and crystals, the traces observed on the silicon wafer surfaces are interpreted as traces of micro-plasmoids. Amorphous silicon is found in the etching tracks. Blisters are produced through the formation of cracks inside the silicon crystal by the interaction with micro-plasmoids. The reason for these modifications is not clear now. The density of micro-plasmoids traces on the treated silicon surface and the depth and length of the etching tracks depends strongly on the type of the used carrier gas of the N-APPJ.

  19. Application of a non-equilibrium reaction model for describing horizontal well performance in foamy oil

    Energy Technology Data Exchange (ETDEWEB)

    Luigi, A.; Saputelli, B.; Carlas, M.; Canache, P.; Lopez, E. [DPVS Exploracion y Produccion (Venezuela)

    1998-12-31

    This study was designed to determine the activation energy ranges and frequency factor ranges in chemical reactions in heavy oils of the Orinoco Belt in Venezuela, in order to account for the kinetics of physical changes that occur in the morphology of gas-oil dispersion. A non-equilibrium reaction model was used to model foamy oil behaviour observed at SDZ-182 horizontal well in the Zuata field. Results showed that activation energy for the first reaction ranged from 0 to 0.01 BTU/lb-mol and frequency factor from 0.001 to 1000 l/day. For the second reaction the activation energy was 50x10{sub 3} BTU/lb-mol and the frequency factor 2.75x10{sub 1}2 l/day. The second reaction was highly sensitive to the modifications in activation energy and frequency factor. However, both the activation energy and frequency factor were independent of variations for the first reaction. In the case of the activation energy, the results showed that the high sensitivity of this parameter reflected the impact that temperature has on the representation of foamy oil behaviour. 8 refs., 2 tabs., 6 figs.

  20. Collective non-equilibrium spin exchange in cold alkaline-earth atomic clocks

    Science.gov (United States)

    Acevedo, Oscar Leonardo; Rey, Ana Maria

    2016-05-01

    Alkaline-earth atomic (AEA) clocks have recently been shown to be reliable simulators of two-orbital SU(N) quantum magnetism. In this work, we study the non-equilibrium spin exchange dynamics during the clock interrogation of AEAs confined in a deep one-dimensional optical lattice and prepared in two nuclear levels. The two clock states act as an orbital degree of freedom. Every site in the lattice can be thought as populated by a frozen set of vibrational modes collectively interacting via predominantly p-wave collisions. Due to the exchange coupling, orbital state transfer between atoms with different nuclear states is expected to happen. At the mean field level, we observe that in addition to the expected suppression of population transfer in the presence of a large magnetic field, that makes the single particle levels off-resonance, there is also an interaction induced suppression for initial orbital population imbalance. This suppression resembles the macroscopic self-trapping mechanism seen in bosonic systems. However, by performing exact numerical solutions and also by using the so-called Truncated Wigner Approximation, we show that quantum correlations can significantly modify the mean field suppression. Our predictions should be testable in optical clock experiments. Project supported by NSF-PHY-1521080, JILA-NSF-PFC-1125844, ARO, AFOSR, and MURI-AFOSR.

  1. Radiation-induced non-equilibrium redox chemistry of plutonium: implications for environmental migration

    Energy Technology Data Exchange (ETDEWEB)

    Haschke, J M; Siekhaus, W J

    2009-02-11

    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{sub 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).

  2. Non-equilibrium Condensation ina Primordial Solar Nebula: Formation of Refractory Metal Nuggets

    Science.gov (United States)

    Tanaka, Kyoko K.; Tanaka, Hidekazu; Nakazawa, Kiyoshi

    2002-11-01

    We present a theoretical investigation of non-equilibrium condensation of refractory metalsinthe primordial solar nebula, in relation to the origin of "Fremdlinges" included inCAIs. Todescribe the nucleation process of grains from vapor, weadopted asemi-phenomenological modelmodified fromthe classical nucleation theoryby the introductionof the second virial coefficient of vapor. This modelachieves excellent agreement with nucleation rate experiment. However,the second virial coefficients are unknown for a vapor of refractory metals. To overcome this, weexpress the nucleation rate by theuse of the chemical potential of dimersinsteadof the second virial coefficient. On the basis of this new nucleation theory,we have performed numerical simulations ofnon-equilibrium condensation of refractory metals andfind thattheircondensation temperatures, Tc, decrease considerably in comparison withequilibrium condensation. Even if the characteristiccooling time scale is aslarge as 1×10 5 years, the decrease in Tc isfrom 200 to 400 Kfor rare elements such as W, Re,and Os. This remarkablenon-equilibrium behaviormainly stemsfromthelow totalpressure in the primordial solar nebula. From our new modelwealso obtainthe typical size ofgrainsformed in condensation. We findthatthe cooling time should be ≳1×10 5 years for sub-micron-sized or largerrefractory metal nuggetsto form.

  3. A research on the spatial disparity of China's private economic capital : Based on an Institutional non-equilibrium approach

    NARCIS (Netherlands)

    Jiang, J.; Zhang, J.

    2010-01-01

    In this paper we investigate China’s private economic capital and its spatial disparity from the perspective of institutional non-equilibrium, and then we test the efficiency coefficient of the institutional change of a region and inter-regions,which is analyzed on a special cost-benefit model.The e

  4. 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.

  5. Mass conserved elementary kinetics is sufficient for the existence of a non-equilibrium steady state concentration.

    Science.gov (United States)

    Fleming, R M T; Thiele, I

    2012-12-07

    Living systems are forced away from thermodynamic equilibrium by exchange of mass and energy with their environment. In order to model a biochemical reaction network in a non-equilibrium state one requires a mathematical formulation to mimic this forcing. We provide a general formulation to force an arbitrary large kinetic model in a manner that is still consistent with the existence of a non-equilibrium steady state. We can guarantee the existence of a non-equilibrium steady state assuming only two conditions; that every reaction is mass balanced and that continuous kinetic reaction rate laws never lead to a negative molecule concentration. These conditions can be verified in polynomial time and are flexible enough to permit one to force a system away from equilibrium. With expository biochemical examples we show how reversible, mass balanced perpetual reaction(s), with thermodynamically infeasible kinetic parameters, can be used to perpetually force various kinetic models in a manner consistent with the existence of a steady state. Easily testable existence conditions are foundational for efforts to reliably compute non-equilibrium steady states in genome-scale biochemical kinetic models.

  6. Non-equilibrium phenomena in confined soft matter irreversible adsorption, physical aging and glass transition at the nanoscale

    CERN Document Server

    2015-01-01

    This book presents cutting-edge experimental and computational results and provides comprehensive coverage on the impact of non-equilibrium structure and dynamics on the properties of soft matter confined to the nanoscale. The book is organized into three main sections: ·         Equilibration and physical aging: by treating non-equilibrium phenomena with the formal methodology of statistical physics in bulk, the analysis of the kinetics of equilibration sheds new light on the physical origin of the non-equilibrium character of thin polymer films. Both the impact of sample preparation and that of interfacial interactions are analyzed using a large set of experiments. A historical overview of the investigation of the non-equilibrium character of thin polymer films is also presented. Furthermore, the discussion focuses on how interfaces and geometrical confinement perturb the pathways and kinetics of equilibrations of soft glasses (a process of tremendous technological interest). ·         Irr...

  7. Applications of non-equilibrium plasma in chemical processes; Aplicaciones de plasmas de no-equilibrio en procesos quimicos

    Energy Technology Data Exchange (ETDEWEB)

    Patino, P.; Castro, A. [Escuela de Quimica, Facultad de Ciencias, Universidad Central de Venezuela, P.O. Box 47102, Caracas 1041A (Venezuela)]. e-mail: ppatino@strix.ciens.ucv.ve

    2003-07-01

    By means of optical emission spectroscopy the population of O({sup 3}P) in a non-equilibrium, high voltage, oxygen plasma, and O({sup 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)

  8. Colloidal dispersions in external fields: from equilibrium to non-equilibrium

    Science.gov (United States)

    Lowen, Hartmut

    2010-03-01

    Dispersions of colloidal particles are excellent model systems of classical statistical mechanics in order to understand the principles of self-organization processes. Using an external field (e.g. electric or magnetic field) the effective interaction between the colloidal particles can be tailored and the system can be brought into non-equilibrium in a controlled way. Glass formation after an ultrafast quench in a two-dimensional superparamagnetic binary colloidal mixture [1,2] will be discussed as well as lane [3,4,5,6,7] and band [8] formation in mixtures of charged suspensions and dusty plasmas driven by an electric field. [4pt] References:[0pt] [1] L. Assoud, F. Ebert, P. Keim, R. Messina, G. Maret, H. Lowen, Phys. Rev. Letters 102, 238301 (2009). [0pt] [2] L. Assoud, F. Ebert, P. Keim, R. Messina, G. Maret, H. Lowen, J. Phys.: Condensed Matter 21, 464114 (2009). [0pt] [3] J. Dzubiella, G. P. Hoffmann, H. Lowen, Phys. Rev. E 65, 021402 (1-8) (2002). [0pt] [4] M. E. Leunissen, C. G. Christova, A. P. Hynninen, C. P. Royall, A. I. Campbell, A. Imhof, M. Dijkstra, R. van Roij, A. van Blaaderen, Nature 437, 235 (2005). [0pt] [5] M. Rex, H. Lowen, Phys. Rev. E 75, 051402 (2007). [0pt] [6] M. Rex, C. P. Royall, A. van Blaaderen, H. Lowen, Lane formation in driven colloidal mixtures: is it continuous or discontinuous?, http://arxiv.org/abs/0812.0908 [0pt] [7] K. R. Sutterlin, A. Wysocki, A. V. Ivlev, C. Rath, H. M. Thomas, M. Rubin-Zuzic, W. J. Goedheer, V. E. Fortov, A. M. Lipaev, V. I. Molotkov, O. F. Petrov, G. E. Morfill, H. Lowen, Phys. Rev. Letters 102, 085003 (2009). [0pt] [8] A. Wysocki, H. Lowen, Phys. Rev. E 79, 041408 (2009).

  9. 2-D Modeling of Nanoscale MOSFETs: Non-Equilibrium Green's Function Approach

    Science.gov (United States)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, Bryan

    2001-01-01

    We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Electron-electron interaction is treated within Hartree approximation by solving NEGF and Poisson equations self-consistently. For the calculations presented here, parallelization is performed by distributing the solution of NEGF equations to various processors, energy wise. We present simulation of the "benchmark" MIT 25nm and 90nm MOSFETs and compare our results to those from the drift-diffusion simulator and the quantum-corrected results available. In the 25nm MOSFET, the channel length is less than ten times the electron wavelength, and the electron scattering time is comparable to its transit time. Our main results are: (1) Simulated drain subthreshold current characteristics are shown, where the potential profiles are calculated self-consistently by the corresponding simulation methods. The current predicted by our quantum simulation has smaller subthreshold slope of the Vg dependence which results in higher threshold voltage. (2) When gate oxide thickness is less than 2 nm, gate oxide leakage is a primary factor which determines off-current of a MOSFET (3) Using our 2-D NEGF simulator, we found several ways to drastically decrease oxide leakage current without compromising drive current. (4) Quantum mechanically calculated electron density is much smaller than the background doping density in the poly silicon gate region near oxide interface. This creates an additional effective gate voltage. Different ways to. include this effect approximately will be discussed.

  10. Long-period Intensity Pulsations in Coronal Loops Explained by Thermal Non-equilibrium Cycles

    Science.gov (United States)

    Froment, C.; Auchère, F.; Aulanier, G.; Mikić, Z.; Bocchialini, K.; Buchlin, E.; Solomon, J.

    2017-02-01

    In solar coronal loops, thermal non-equilibrium (TNE) is a phenomenon that can occur when the heating is both highly stratified and quasi-constant. Unambiguous observational identification of TNE would thus permit us to strongly constrain heating scenarios. While TNE is currently the standard interpretation of coronal rain, the long-term periodic evolution predicted by simulations has never been observed. However, the detection of long-period intensity pulsations (periods of several hours) has been recently reported with the Solar and Heliospheric Observatory/EIT, and this phenomenon appears to be very common in loops. Moreover, the three intensity-pulsation events that we recently studied with the Solar Dynamics Observatory/Atmospheric Imaging Assembly (AIA) show strong evidence for TNE in warm loops. In this paper, a realistic loop geometry from linear force-free field (LFFF) extrapolations is used as input to 1D hydrodynamic simulations. Our simulations show that, for the present loop geometry, the heating has to be asymmetrical to produce TNE. We analyze in detail one particular simulation that reproduces the average thermal behavior of one of the pulsating loop bundle observed with AIA. We compare the properties of this simulation with those deduced from the observations. The magnetic topology of the LFFF extrapolations points to the presence of sites of preferred reconnection at one footpoint, supporting the presence of asymmetric heating. In addition, we can reproduce the temporal large-scale intensity properties of the pulsating loops. This simulation further strengthens the interpretation of the observed pulsations as signatures of TNE. This consequently provides important information on the heating localization and timescale for these loops.

  11. Construction of Low Dissipative High Order Well-Balanced Filter Schemes for Non-Equilibrium Flows

    Science.gov (United States)

    Wang, Wei; Yee, H. C.; Sjogreen, Bjorn; Magin, Thierry; Shu, Chi-Wang

    2009-01-01

    The goal of this paper is to generalize the well-balanced approach for non-equilibrium flow studied by Wang et al. [26] to a class of low dissipative high order shock-capturing filter schemes and to explore more advantages of well-balanced schemes in reacting flows. The class of filter schemes developed by Yee et al. [30], Sjoegreen & Yee [24] and Yee & Sjoegreen [35] consist of two steps, a full time step of spatially high order non-dissipative base scheme and an adaptive nonlinear filter containing shock-capturing dissipation. A good property of the filter scheme is that the base scheme and the filter are stand alone modules in designing. Therefore, the idea of designing a well-balanced filter scheme is straightforward, i.e., choosing a well-balanced base scheme with a well-balanced filter (both with high order). A typical class of these schemes shown in this paper is the high order central difference schemes/predictor-corrector (PC) schemes with a high order well-balanced WENO filter. The new filter scheme with the well-balanced property will gather the features of both filter methods and well-balanced properties: it can preserve certain steady state solutions exactly; it is able to capture small perturbations, e.g., turbulence fluctuations; it adaptively controls numerical dissipation. Thus it shows high accuracy, efficiency and stability in shock/turbulence interactions. Numerical examples containing 1D and 2D smooth problems, 1D stationary contact discontinuity problem and 1D turbulence/shock interactions are included to verify the improved accuracy, in addition to the well-balanced behavior.

  12. Bimodality of low-redshift circumgalactic O VI in non-equilibrium EAGLE zoom simulations

    Science.gov (United States)

    Oppenheimer, Benjamin D.; Crain, Robert A.; Schaye, Joop; Rahmati, Alireza; Richings, Alexander J.; Trayford, James W.; Tumlinson, Jason; Bower, Richard G.; Schaller, Matthieu; Theuns, Tom

    2016-08-01

    We introduce a series of 20 cosmological hydrodynamical simulations of L* (M200 = 1011.7-1012.3 M⊙) and group-sized (M200 = 1012.7-1013.3 M⊙) haloes run with the model used for the EAGLE project, which additionally includes a non-equilibrium ionization and cooling module that follows 136 ions. The simulations reproduce the observed correlation, revealed by COS-Halos at z ˜ 0.2, between {O {VI}} column density at impact parameters b 106 K) promotes oxygen to higher ionization states, suppressing the {O {VI}} column density. The observed N_{O {VI}}-sSFR correlation therefore does not imply a causal link, but reflects the changing characteristic ionization state of oxygen as halo mass is increased. In spite of the mass dependence of the oxygen ionization state, the most abundant circumgalactic oxygen ion in both L* and group haloes is {O VII}; {O {VI}} accounts for only 0.1 per cent of the oxygen in group haloes and 0.9-1.3 per cent with L* haloes. Nonetheless, the metals traced by {O {VI}} absorbers represent a fossil record of the feedback history of galaxies over a Hubble time; their characteristic epoch of ejection corresponds to z > 1 and much of the ejected metal mass resides beyond the virial radius of galaxies. For both L* and group galaxies, more of the oxygen produced and released by stars in the circumgalactic medium (within twice the virial radius) than in the stars and interstellar medium of the galaxy.

  13. Collective phenomena in the non-equilibrium quark-gluon plasma

    Energy Technology Data Exchange (ETDEWEB)

    Schenke, Bjoern Peter

    2008-07-03

    In this work we study the non-equilibrium dynamics of a quark-gluon plasma, as created in heavy-ion collisions. We investigate how big of a role plasma instabilities can play in the isotropization and equilibration of a quark-gluon plasma. In particular, we determine, among other things, how much collisions between the particles can reduce the growth rate of unstable modes. This is done both in a model calculation using the hard-loop approximation, as well as in a real-time lattice simulation combining both classical Yang-Mills-fields as well as inter-particle collisions. The new extended version of the simulation is also used to investigate jet transport in isotropic media, leading to a cutoff-independent result for the transport coefficient q. The precise determination of such transport coefficients is essential, since they can provide important information about the medium created in heavy ion collisions. In anisotropic media, the effect of instabilities on jet transport is studied, leading to a possible explanation for the experimental observation that high-energy jets traversing the plasma perpendicular to the beam axis experience much stronger broadening in rapidity than in azimuth. The investigation of collective modes in the hard-loop limit is extended to fermionic modes, which are shown to be all stable. Finally, we study the possibility of using high energy photon production as a tool to experimentally determine the anisotropy of the created system. Knowledge of the degree of local momentum-space anisotropy reached in a heavy-ion collision is essential for the study of instabilities and their role for isotropization and thermalization, because their growth rate depends strongly on the anisotropy. (orig.)

  14. A computationally efficient and accurate numerical representation of thermodynamic properties of steam and water for computations of non-equilibrium condensing steam flow in steam turbines

    Directory of Open Access Journals (Sweden)

    Hrubý Jan

    2012-04-01

    Full Text Available Mathematical modeling of the non-equilibrium condensing transonic steam flow in the complex 3D geometry of a steam turbine is a demanding problem both concerning the physical concepts and the required computational power. Available accurate formulations of steam properties IAPWS-95 and IAPWS-IF97 require much computation time. For this reason, the modelers often accept the unrealistic ideal-gas behavior. Here we present a computation scheme based on a piecewise, thermodynamically consistent representation of the IAPWS-95 formulation. Density and internal energy are chosen as independent variables to avoid variable transformations and iterations. On the contrary to the previous Tabular Taylor Series Expansion Method, the pressure and temperature are continuous functions of the independent variables, which is a desirable property for the solution of the differential equations of the mass, energy, and momentum conservation for both phases.

  15. State-by-state emission spectra fitting for non-equilibrium plasmas: OH spectra of surface barrier discharge at argon/water interface

    Science.gov (United States)

    Voráč, Jan; Synek, Petr; Procházka, Vojtěch; Hoder, Tomáš

    2017-07-01

    Optical emission spectroscopy applied to non-equilibrium plasmas in molecular gases can give important information on basic plasma parameters, including the rotational and vibrational temperatures and densities of the investigated radiative states. In order to precisely understand the non-equilibrium of rotational-vibrational state distribution from the investigated spectra without limiting presumptions, a state-by-state temperature-independent fitting procedure is the ideal approach. In this paper, we present a novel software tool developed for this purpose, freely available for the scientific community. The introduced tool offers a convenient way to construct Boltzmann plots even from partially overlapping spectra, in a user-friendly environment. We apply the novel software to the challenging case of OH spectra in surface streamer discharges generated from the triple-line of the argon/water/dielectrics interface. After the barrier discharge is characterised by ICCD and electrical measurements, the spatially and phase resolved rotational temperatures from N2(C-B) and OH(A-X) spectra are determined and compared. The precise analysis shows that OH(A) states with quantum numbers ≤ft({{v}\\prime}=0,~9≤slant {{N}\\prime}≤slant 13\\right) are overpopulated with respect to the found two-Boltzmann distribution. We hypothesise that fast vibrational-energy transfer is responsible for this phenomenon, observed here for the first time. Finally, the vibrational temperature of the plasma and the relative populations of hot and cold OH(A) states are quantified spatially and phase resolved.

  16. Observation of quasi-fast diffusion process in sup 3 He- sup 4 He solid solutions near BCC-HCP

    CERN Document Server

    Mikhin, N P; Rudavskij, E Y

    2001-01-01

    By means of pulsed NMR one investigated into diffusion processes i sup 3 He dilute solid solution in sup 4 He at the BCC-HCP phase equilibrium line and in a melting-point curve. The applied techniques of the spin echo enabled to separate contributions made by all co-existing phases. It is determined that alongside with the contributions relevant to the equilibrium phases a secondary diffusion process characterized by anomalously high value of the diffusion coefficient manifests itself. It is shown to be close to the value of diffusion coefficient for liquid helium while diffusion is a spatially restricted one. One assumes that the observed effect may be associated with occurrence of liquid drops in the BCC-HCP transition process

  17. Assessing human and natural impacts on the hydrogeomorphological trajectory of a non-equilibrium river system

    Science.gov (United States)

    Biron, Pascale; Buffin-Bélanger, Thomas; Demers, Sylvio; Olsen, Taylor

    2013-04-01

    Understanding the hydrogeomorphological trajectory of a river allows us to document the impact of environmental changes on the river, but also to determine sustainable management solutions in the cases of a non-equilibrium river system. The hydrogeomorphological trajectory is obtained through the quantification of morphological and hydrological changes that have occurred in a river system over time. This paper aims at documenting the hydromorphological trajectory of the Matane River, a gravel-bed river located on the north shore of the Gaspé peninsula, Québec. This river has been highly impacted by wood rafting in the 19th century and first half of the 20th century. Since the second half of the 20th century, there has been widespread use of bank stabilization structures to protect the road, particularly in the downstream sections of the valley. In addition to these human impacts, the river is highly sensitive to environmental changes related to hydrological variability, it is partly controlled by the presence of bedrock outcrops in some reaches and it is prone to severe river ice jams. A combination of field surveys, LiDAR Digital Elevation Models (DEMs) and high-resolution imagery was used to obtain key hydrogeomorphological variables such as water surface slope, width and unit stream power for the 50-km downstream reach of the Matane River. GIS scripts developed in ArcGIS allowed us to automatically extract unit stream power from the LiDAR DEM. The comparison with a field survey of water surface slope revealed a very good agreement (correlation coefficient of 0.87). The trajectory analysis was performed from aerial photographs from 1963 to 2009. The relationship between unit stream power extracted from the LiDAR DEM and river migration rate is not very strong. This is likely due to the impact of bank stabilization and bedrock outcrops. When examining the entire 50km reach, the trajectory analysis reveals that the river width decreased, the eroded flood plain

  18. Turbulence characteristics of open channel flow over non-equilibrium 3-D mobile dunes

    Indian Academy of Sciences (India)

    PRASHANTH REDDY HANMAIAHGARI; RAM BALACHANDAR

    2016-09-01

    This paper reports velocity measurements over mobile dunes using an acoustic Doppler velocimetry (ADV). Experiments were conducted with two different flow conditions resulting in the formation of two different size mobile dunes. Dunes height, wavelength and velocity of dunes found to be increasing with increase in average flow velocity for a constant flow depth. The quasi-stationary bed condition was assumed while measuring the velocity distribution along the depth. The effect of the non-equilibrium mobile dunes on the flow characteristics and turbulence is examined by computing turbulent intensities, turbulent kinetic energy and Reynolds shear stresses using time averaged and time–space averaged velocity measurements. The magnitudes of transverse velocities are approximately 1/10 of streamwise velocities and vertical velocities are approximately half of the transverse velocities. The considerable magnitudes of transverse velocities over mobile bedforms necessitate measurement of 3-D velocity components to analyze the flow field. Computed turbulence intensities are found to be maximum in the region consisting of the trough and the reattachment point of the dunes. It is observed that streamwise turbulence intensities near the bed are twice the transverse turbulence intensities, and transverse turbulence intensities are twice the vertical turbulence intensities. Reynolds stresses (transverse fluxes of streamwise and vertical momentum) are observed to be high on mobile bedforms which shows mobile dunes reinforce the secondary currents. Peak values of turbulent kinetic energy (TKE) and Reynolds stresses are also found in the region consisting of the trough and the reattachment point. It is visually observed in the present experiments that maximum erosion takes place at the reattachment point and eroded sediment is carried as totalload and dropped on the lee slope of the subsequent downstream dune. This phenomenon is caused by flow expansion in the separation zone

  19. Non-equilibrium thermodynamics theory of econometric source discovery for large data analysis

    Science.gov (United States)

    van Bergem, Rutger; Jenkins, Jeffrey; Benachenhou, Dalila; Szu, Harold

    2014-05-01

    Almost all consumer and firm transactions are achieved using computers and as a result gives rise to increasingly large amounts of data available for analysts. The gold standard in Economic data manipulation techniques matured during a period of limited data access, and the new Large Data Analysis (LDA) paradigm we all face may quickly obfuscate most tools used by Economists. When coupled with an increased availability of numerous unstructured, multi-modal data sets, the impending 'data tsunami' could have serious detrimental effects for Economic forecasting, analysis, and research in general. Given this reality we propose a decision-aid framework for Augmented-LDA (A-LDA) - a synergistic approach to LDA which combines traditional supervised, rule-based Machine Learning (ML) strategies to iteratively uncover hidden sources in large data, the artificial neural network (ANN) Unsupervised Learning (USL) at the minimum Helmholtz free energy for isothermal dynamic equilibrium strategies, and the Economic intuitions required to handle problems encountered when interpreting large amounts of Financial or Economic data. To make the ANN USL framework applicable to economics we define the temperature, entropy, and energy concepts in Economics from non-equilibrium molecular thermodynamics of Boltzmann viewpoint, as well as defining an information geometry, on which the ANN can operate using USL to reduce information saturation. An exemplar of such a system representation is given for firm industry equilibrium. We demonstrate the traditional ML methodology in the economics context and leverage firm financial data to explore a frontier concept known as behavioral heterogeneity. Behavioral heterogeneity on the firm level can be imagined as a firm's interactions with different types of Economic entities over time. These interactions could impose varying degrees of institutional constraints on a firm's business behavior. We specifically look at behavioral heterogeneity for firms

  20. Assessing life's effects on the interior dynamics of planet Earth using non-equilibrium thermodynamics

    Directory of Open Access Journals (Sweden)

    J. G. Dyke

    2010-09-01

    Full Text Available Vernadsky described life as the geologic force, while Lovelock noted the role of life in driving the Earth's atmospheric composition to a unique state of thermodynamic disequilibrium. Here, we use these notions in conjunction with thermodynamics to quantify biotic activity as a driving force for geologic processes. Specifically, we explore the hypothesis that biologically-mediated processes operating on the surface of the Earth, such as the biotic enhancement of weathering of continental crust, affect interior processes such as mantle convection and have therefore shaped the evolution of the whole Earth system beyond its surface and atmosphere. We set up three simple models of mantle convection, oceanic crust recycling and continental crust recycling. We describe these models in terms of non-equilibrium thermodynamics in which the generation and dissipation of gradients is central to driving their dynamics and that such dynamics can be affected by their boundary conditions. We use these models to quantify the maximum power that is involved in these processes. The assumption that these processes, given a set of boundary conditions, operate at maximum levels of generation and dissipation of free energy lead to reasonable predictions of core temperature, seafloor spreading rates, and continental crust thickness. With a set of sensitivity simulations we then show how these models interact through the boundary conditions at the mantle-crust and oceanic-continental crust interfaces. These simulations hence support our hypothesis that the depletion of continental crust at the land surface can affect rates of oceanic crust recycling and mantle convection deep within the Earth's interior. We situate this hypothesis within a broader assessment of surface-interior interactions by setting up a work budget of the Earth's interior to compare the maximum power estimates that drive interior processes to the power that is associated with biotic activity