Sample records for gc5 non-equilibrium brn

  1. Local non-equilibrium thermodynamics

    E-Print Network [OSTI]

    Jinwoo, Lee

    2015-01-01T23:59:59.000Z

    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.

  2. Local non-equilibrium thermodynamics

    E-Print Network [OSTI]

    Lee Jinwoo; Hajime Tanaka

    2015-01-16T23:59:59.000Z

    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.

  3. Equilibrium and non-equilibrium properties of superfluids and superconductors

    E-Print Network [OSTI]

    Walter F. Wreszinski

    2015-06-26T23:59:59.000Z

    We review some rigorous results on the equilibrium and non-equilibrium properties of superfluids and superconductors.

  4. Equilibrium and non-equilibrium properties of superfluids and superconductors

    E-Print Network [OSTI]

    Walter F. Wreszinski

    2015-07-05T23:59:59.000Z

    We review some rigorous results on the equilibrium and non-equilibrium properties of superfluids and superconductors.

  5. Equilibrium and non-equilibrium properties of superfluids and superconductors

    E-Print Network [OSTI]

    Walter F. Wreszinski

    2015-06-19T23:59:59.000Z

    We review some rigorous results on the equilibrium and non-equilibrium properties of superfluids and superconductors.

  6. Adaptive Implicit Non-Equilibrium Radiation Diffusion

    SciTech Connect (OSTI)

    Philip, Bobby [ORNL; Wang, Zhen [ORNL; Berrill, Mark A [ORNL; Rodriguez Rodriguez, Manuel [ORNL; Pernice, Michael [Idaho National Laboratory (INL)

    2013-01-01T23:59:59.000Z

    We describe methods for accurate and efficient long term time integra- tion of non-equilibrium radiation diffusion systems: implicit time integration for effi- cient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while control- ling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

  7. Stimulated emission with a non-equilibrium state of radiation

    E-Print Network [OSTI]

    L. Accardi; K. Imafuku; S. V. Kozyrev

    2001-04-24T23:59:59.000Z

    The stimulated emission from an atom interacting with radiation in non-equilibrium state is considered. The stochastic limit, applied to the non-relativistic Hamiltonian describing the interaction, shows that the state of atoms, driven by some non-equilibrium state of the field approaches a stationary state which can continuously emit photon, unlike the case with an equilibrium state.

  8. Lithium-ion battery modeling using non-equilibrium thermodynamics

    E-Print Network [OSTI]

    Ferguson, Todd R. (Todd Richard)

    2014-01-01T23:59:59.000Z

    The focus of this thesis work is the application of non-equilibrium thermodynamics in lithium-ion battery modeling. As the demand for higher power and longer lasting batteries increases, the search for materials suitable ...

  9. Non-Equilibrium Thermodynamics of Self-Replicating Protocells

    E-Print Network [OSTI]

    Harold Fellermann; Bernat Corominas-Murtra; Per Lyngs Hansen; John Hjort Ipsen; Ricard Solé; Steen Rasmussen

    2015-03-16T23:59:59.000Z

    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.

  10. Fluctuation Spectra Underlie the Behaviour of Non-equilibrium Systems

    E-Print Network [OSTI]

    Alpha A Lee; Dominic Vella; John S Wettlaufer

    2015-05-26T23:59:59.000Z

    A diverse set of important physical phenomena, ranging from hydrodynamic turbulence to the collective behaviour of bacteria, are intrinsically far from equilibrium and hence cannot be described by equilibrium statistical physics. The defining feature of such systems is the presence of a constant energy source that drives them into their respective steady states. Despite their ubiquity, there are few general theoretical results that describe these non-equilibrium steady states. Here we argue that a generic signature of non-equilibrium systems is nontrivial fluctuation spectra. Based on this observation, we derive a general relation for the force exerted by a non-equilibrium system on two embedded walls. We find that for a narrow, unimodal spectrum, the force depends solely on the width and the position of the peak in the fluctuation spectrum, and will, in general, oscillate between repulsion and attraction. We demonstrate the generality of our framework by examining two apparently disparate examples. In the first we study the spectrum of wind-water interactions on the ocean surface to reveal force oscillations underlying the Maritime Casimir effect. In the second, we demonstrate quantitative agreement with force generation in recent simulations of active Brownian particles. A key implication of our work is that important non-equilibrium interactions are encoded in the fluctuation spectrum. In this sense the noise becomes the signal.

  11. Steady quantum coherence in non-equilibrium environment

    E-Print Network [OSTI]

    Sheng-Wen Li; C. Y. Cai; C. P. Sun

    2014-07-16T23:59:59.000Z

    We study the steady state of a three-level system in contact with a non-equilibrium environment, which is composed of two independent heat baths at different temperatures. We derive a master equation to describe the non-equilibrium process of the system. For the three level systems with two dipole transitions, i.e., the $\\Lambda$-type and V-type, we find that the interferences of two transitions in a non-equilibrium environment can give rise to non-vanishing steady quantum coherence, namely, there exist non-zero off-diagonal terms in the steady state density matrix (in the energy representation). Moreover, the non-vanishing off-diagonal terms increase with the temperature difference of the two heat baths. Such interferences of the transitions were usually omitted by secular approximation, for it was usually believed that they only take effect in short time behavior and do not affect the steady state. Here we show that, in non-equilibrium systems, such omission would lead to the neglect of the steady quantum coherence.

  12. Effective Temperature of Non-equilibrium Dense Matter in Holography

    E-Print Network [OSTI]

    Hironori Hoshino; Shin Nakamura

    2015-03-03T23:59:59.000Z

    We study properties of effective temperature of non-equilibrium steady states by using the anti-de Sitter spacetime/conformal field theory (AdS/CFT) correspondence. We consider non-equilibrium systems with a constant flow of current along an electric field, in which the current is carried by both the doped charges and those pair created by the electric field. We find that the effective temperature agrees with that of the Langevin systems if we take the limit where the pair creation is negligible. The effect of pair creation raises the effective temperature whereas the current by the doped charges contributes to lower the effective temperature in a wide range of the holographic models.

  13. Non-equilibrium Condensation Process in a Holographic Superconductor

    E-Print Network [OSTI]

    Keiju Murata; Shunichiro Kinoshita; Norihiro Tanahashi

    2010-05-04T23:59:59.000Z

    We study the non-equilibrium condensation process in a holographic superconductor. When the temperature T is smaller than a critical temperature T_c, there are two black hole solutions, the Reissner-Nordstrom-AdS black hole and a black hole with a scalar hair. In the boundary theory, they can be regarded as the supercooled normal phase and the superconducting phase, respectively. We consider perturbations on supercooled Reissner-Nordstrom-AdS black holes and study their non-linear time evolution to know about physical phenomena associated with rapidly-cooled superconductors. We find that, for Tsuperconducting order parameter. Finally, we study the time evolution of event and apparent horizons and discuss their correspondence with the entropy of the boundary theory. Our result gives a first step toward the holographic understanding of the non-equilibrium process in superconductors.

  14. Non-equilibrium Entanglement and Noise in Coupled Qubits

    E-Print Network [OSTI]

    N. Lambert; R. Aguado; T. Brandes

    2006-02-03T23:59:59.000Z

    We study charge entanglement in two Coulomb-coupled double quantum dots in thermal equilibrium and under stationary non-equilibrium transport conditions. In the transport regime, the entanglement exhibits a clear switching threshold and various limits due to suppression of tunneling by Quantum Zeno localisation or by an interaction induced energy gap. We also calculate quantum noise spectra and discuss the inter-dot current correlation as an indicator of the entanglement in transport experiments.

  15. Diffusive mass transfer by non equilibrium fluctuations: Fick's law revisited

    E-Print Network [OSTI]

    Doriano Brogioli; Alberto Vailati

    2000-06-09T23:59:59.000Z

    Recent experimental and theoretical works have shown that giant fluctuations are present during diffusion in liquid systems. We use linearized fluctuating hydrodynamics to calculate the net mass transfer due to these non equilibrium fluctuations. Surprisingly the mass flow turns out to coincide with the usual Fick's one. The renormalization of the hydrodynamic equations allows us to quantify the gravitational modifications of the diffusion coefficient induced by the gravitational stabilization of long wavelength fluctuations.

  16. Thermostat for non-equilibrium multiparticle collision dynamics simulations

    E-Print Network [OSTI]

    Chien-Cheng Huang; Anoop Varghese; Gerhard Gompper; Roland G. Winkler

    2015-01-23T23:59:59.000Z

    Multiparticle collision dynamics (MPC), a particle-based mesoscale simulation technique for com- plex fluid, is widely employed in non-equilibrium simulations of soft matter systems. To maintain a defined thermodynamic state, thermalization of the fluid is often required for certain MPC variants. We investigate the influence of three thermostats on the non-equilibrium properties of a MPC fluid under shear or in Poiseuille flow. In all cases, the local velocities are scaled by a factor, which is either determined via a local simple scaling approach (LSS), a Monte Carlo-like procedure (MCS), or by the Maxwell-Boltzmann distribution of kinetic energy (MBS). We find that the various scal- ing schemes leave the flow profile unchanged and maintain the local temperature well. The fluid viscosities extracted from the various simulations are in close agreement. Moreover, the numerically determined viscosities are in remarkably good agreement with the respective theoretically predicted values. At equilibrium, the calculation of the dynamic structure factor reveals that the MBS method closely resembles an isothermal ensemble, whereas the MCS procedure exhibits signatures of an adi- abatic system at larger collision-time steps. Since the velocity distribution of the LSS approach is non-Gaussian, we recommend to apply the MBS thermostat, which has been shown to produce the correct velocity distribution even under non-equilibrium conditions.

  17. Non-equilibrium Statistical Approach to Friction Models

    E-Print Network [OSTI]

    Shoichi Ichinose

    2015-05-18T23:59:59.000Z

    A geometric approach to the friction phenomena is presented. It is based on the holographic view which has recently been popular in the theoretical physics community. We see the system in one-dimension-higher space. The heat-producing phenomena are most widely treated by using the non-equilibrium statistical physics. We take 2 models of the earthquake. The dissipative systems are here formulated from the geometric standpoint. The statistical fluctuation is taken into account by using the (generalized) Feynman's path-integral.

  18. Is Soret equilibrium a non-equilibrium effect?

    E-Print Network [OSTI]

    Alois Würger

    2014-01-29T23:59:59.000Z

    Recent thermophoretic experiments on colloidal suspensions revived an old debate, namely whether the Soret effect is properly described by thermostatics, or necessarily requires non-equilibrium thermodynamics. Based on colloidal transport theory and the entropy production of the related viscous flow, our analysis leads to the conclusion that the equilibrium approach may work for small ions, yet fails for colloidal particles and polymers. Regarding binary molecular mixtures, our results shed some doubt on the validity of thermostatic approaches that derive the Soret coefficient from equilibrium potentials.

  19. Non-equilibrium thermodynamics approach to open quantum systems

    E-Print Network [OSTI]

    Vitalii Semin; Francesco Petruccione

    2014-11-11T23:59:59.000Z

    Open quantum systems are studied from the thermodynamical point of view unifying the principle of maximum informational entropy and the hypothesis of relaxation times hierarchy. The result of the unification is a non-Markovian and local in time master equation that provides a direct connection of dynamical and thermodynamical properties of open quantum systems. The power of the approach is illustrated with the application to the damped harmonic oscillator and the damped driven two-level system resulting in analytical expressions for the non-Markovian and non-equilibrium entropy and inverse temperature.

  20. Relation of classical non-equilibrium dynamics and quantum annealing

    E-Print Network [OSTI]

    Hidetosni Nishimori

    2015-03-07T23:59:59.000Z

    Non-equilibrium dynamics of the Ising model is a classical stochastic process whereas quantum mechanics has no stochastic elements in the classical sense. Nevertheless, it has been known that there exists a close formal relationship between these two processes. We reformulate this relationship and use it to compare the efficiency of simulated annealing that uses classical stochastic processes and quantum annealing to solve combinatorial optimization problems. It is shown that classical dynamics can be efficiently simulated by quantum-mechanical processes whereas the converse is not necessarily true. This may imply that quantum annealing may be regarded as a more powerful tool than simulated annealing for optimization problems.

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

    E-Print Network [OSTI]

    Levko, D

    2012-01-01T23:59:59.000Z

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

    E-Print Network [OSTI]

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

    1998-01-01T23:59:59.000Z

    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...

  3. Non-equilibrium evolution of a `Tsunami': Dynamical Symmetry Breaking

    E-Print Network [OSTI]

    Daniel Boyanovsky; Hector J. de Vega; Richard Holman; S. Prem Kumar; Robert D. Pisarski

    1997-11-06T23:59:59.000Z

    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 production and a redistribution of the particles towards low momentum due to the nonlinearity of the dynamics. The asymptotic behavior displays the onset of Bose condensation of pions and the equation of state at long times is that of an ultrarelativistic gas although the momentum distribution is non-thermal.

  4. Non-equilibrium Theory of Arrested Spinodal Decomposition

    E-Print Network [OSTI]

    José Manuel Olais-Govea; Leticia López-Flores; Magdaleno Medina-Noyola

    2015-05-03T23:59:59.000Z

    The Non-equilibrium Self-consistent Generalized Langevin Equation theory of irreversible relax- ation [Phys. Rev. E (2010) 82, 061503; ibid. 061504] 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 thermo- dynamic 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, intersects the spinodal curve at lower temperatures and densities, 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 the localization length. In the shallow-quench domain the localization length diverges as a power law as the tempera- ture T approaches the spinodal temperature Ts, whereas in the deep-quench domain, immediately above the glass-glass line, the localization length increases exponentially with T. We conjecture that the upper domain might correspond to full gas-liquid phase separation conditions, whereas the deep-quench domain might correspond to the formation of physical gels by arrested spinodal decomposition.

  5. Strongly interacting Fermi gases : non-equilibrium dynamics and dimensional crossover

    E-Print Network [OSTI]

    Sommer, Ariel T. (Ariel Tjodolv)

    2013-01-01T23:59:59.000Z

    Experiments using ultracold atomic gases address fundamental problems in many-body physics. This thesis describes experiments on strongly-interacting gases of fermionic atoms, with a focus on non-equilibrium physics and ...

  6. The unreasonable effectiveness of equilibrium-like theory for interpreting non-equilibrium experiments

    E-Print Network [OSTI]

    R. Dean Astumian

    2005-12-01T23:59:59.000Z

    There has been great interest in applying the results of statistical mechanics to single molecule experiements. Recent work has highlighted so-called non-equilibrium work-energy relations and Fluctuation Theorems which take on an equilibrium-like (time independent) form. Here I give a very simple heuristic example where an equilibrium result (the barometric law for colloidal particles) arises from theory describing the {\\em thermodynamically} non-equilibrium phenomenon of a single colloidal particle falling through solution due to gravity. This simple result arises from the fact that the particle, even while falling, is in {\\em mechanical} equilibrium (gravitational force equal the viscous drag force) at every instant. The results are generalized by appeal to the central limit theorem. The resulting time independent equations that hold for thermodynamically non-equilibrium (and even non-stationary) processes offer great possibilities for rapid determination of thermodynamic parameters from single molecule experiments.

  7. Non-equilibrium solidification and ferrite in d-TRIP steel

    E-Print Network [OSTI]

    Cambridge, University of

    Non-equilibrium solidification and ferrite in d-TRIP steel H. L. Yi1 , S. K. Ghosh1 , W. J. Liu1, designed on the basis of equilibrium to contain substantial amounts of d-ferrite, reveal zero or much transformation of d-ferrite into austenite occurs without the required partitioning of solutes

  8. Thermal recovery from a fractured medium in local thermal non-equilibrium Rachel Geleta,b,

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    , Australia Abstract Thermal recovery from a hot dry rock reservoir viewed as a deformable fractured mediumThermal recovery from a fractured medium in local thermal non-equilibrium Rachel Geleta phase being made by impermeable solid blocks separated by saturated fractures. The finite element

  9. A Coupled Model for Radiative Transfer: Doppler Effects, Equilibrium and Non-Equilibrium Diffusion Asymptotics

    E-Print Network [OSTI]

    Goudon, Thierry

    A Coupled Model for Radiative Transfer: Doppler Effects, Equilibrium and Non-Equilibrium Diffusion. The interaction terms take into account both scattering and absorption/emission phenomena, as well as Doppler-diffusion equations. Key words. Hydrodynamic limits. Diffusion approximation. Radiative transfer. Doppler correction

  10. Small angle neutron scattering (SANS) under non-equilibrium conditions R. C. Oberthr

    E-Print Network [OSTI]

    Boyer, Edmond

    663 Small angle neutron scattering (SANS) under non-equilibrium conditions R. C. Oberthür Institut with the times obtained from quasi- elastic neutron and light scattering, which yield information about neutrons aux petits angles (DNPA) pour l'étude des systèmes hors d'équi- libre thermodynamique est

  11. Lyapunov functions, stationary distributions, and non-equilibrium potential for chemical reaction networks

    E-Print Network [OSTI]

    Lyapunov functions, stationary distributions, and non-equilibrium potential for chemical reaction reac- tion systems and Lyapunov functions for their deterministic counterparts. Specifically, we derive the well known Lyapunov function of chemical reaction network theory as a scaling limit of the non

  12. Strongly anisotropic non-equilibrium phase transition in Ising models with friction

    E-Print Network [OSTI]

    Sebastian Angst; Alfred Hucht; Dietrich E. Wolf

    2012-05-22T23:59:59.000Z

    The non-equilibrium phase transition in driven two-dimensional Ising models with two different geometries is investigated using Monte Carlo methods as well as analytical calculations. The models show dissipation through fluctuation induced friction near the critical point. We first consider high driving velocities and demonstrate that both systems are in the same universality class and undergo a strongly anisotropic non-equilibrium phase transition, with anisotropy exponent \\theta=3. Within a field theoretical ansatz the simulation results are confirmed. The crossover from Ising to mean field behavior in dependency of system size and driving velocity is analyzed using crossover scaling. It turns out that for all finite velocities the phase transition becomes strongly anisotropic in the thermodynamic limit.

  13. Non-equilibrium phase transition in an exactly solvable driven Ising model with friction

    E-Print Network [OSTI]

    Alfred Hucht

    2009-11-04T23:59:59.000Z

    A driven Ising model with friction due to magnetic correlations has recently been proposed by Kadau et al. (Phys. Rev. Lett. 101, 137205 (2008)). The non-equilibrium phase transition present in this system is investigated in detail using analytical methods as well as Monte Carlo simulations. In the limit of high driving velocities $v$ the model shows mean field behavior due to dimensional reduction and can be solved exactly for various geometries. The simulations are performed with three different single spin flip rates: the common Metropolis and Glauber rates as well as a multiplicative rate. Due to the non-equilibrium nature of the model all rates lead to different critical temperatures at $v>0$, while the exact solution matches the multiplicative rate. Finally, the cross-over from Ising to mean field behavior as function of velocity and system size is analysed in one and two dimensions.

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

    E-Print Network [OSTI]

    Roberto Cerbino; Yifei Sun; Aleksandar Donev; Alberto Vailati

    2015-02-12T23:59:59.000Z

    Diffusion processes are accompanied by the appearance of non-equilibrium fluctuations, whose size distribution on Earth is strongly affected by the gravity force. In microgravity and at steady state, these fluctuations exhibit generic scale invariance and their size is only limited by the finite dimension of the system. In this work, we investigate experimentally and computationally the development of non-equilibrium fluctuations during a thermophoretic process in microgravity. Both experiments and simulations show that during the onset of fluctuations the scale invariance is present at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length scale of the dominant mode are determined by the thickness of the diffuse layer.

  15. Non-equilibrium thermodynamics of damped Timoshenko and damped Bresse systems

    E-Print Network [OSTI]

    Manh Hong Duong

    2015-03-06T23:59:59.000Z

    In this paper, we cast damped Timoshenko and damped Bresse systems into a general framework for non-equilibrium thermodynamics, namely the GENERIC (General Equation for Non-Equilibrium Reversible-Irreversible Coupling) framework. The main ingredients of GENERIC consist of five building blocks: a state space, a Poisson operator, a dissipative operator, an energy functional, and an entropy functional. The GENERIC formulation of damped Timoshenko and damped Bresse systems brings several benefits. First, it provides alternative ways to derive thermodynamically consistent models of these systems by construct- ing building blocks instead of invoking conservation laws and constitutive relations. Second, it reveals clear physical and geometrical structures of these systems, e.g., the role of the energy and the entropy as the driving forces for the reversible and irreversible dynamics respectively. Third, it allows us to introduce a new GENERIC model for damped Timoshenko systems that is not existing in the literature.

  16. Quantum Statistical Mechanics. IV. Non-Equilibrium Probability Operator and Stochastic, Dissipative Schrodinger Equation

    E-Print Network [OSTI]

    Phil Attard

    2014-06-23T23:59:59.000Z

    The probability operator for a generic non-equilibrium quantum system is derived. The corresponding stochastic, dissipative Schr\\"odinger equation is also given. The dissipative and stochastic propagators are linked by the fluctuation-dissipation theorem that is derived from the unitary condition on the time propagator. The dissipative propagator is derived from thermodynamic force and entropy fluctuation operators that are in general non-linear.

  17. On the use of stochastic differential geometry for non-equilibrium thermodynamics modeling and control

    E-Print Network [OSTI]

    Paolo Muratore-Ginanneschi

    2012-10-03T23:59:59.000Z

    We discuss the relevance of geometric concepts in the theory of stochastic differential equations for applications to the theory of non-equilibrium thermodynamics of small systems. In particular, we show how the Eells-Elworthy-Malliavin covariant construction of the Wiener process on a Riemann manifold provides a physically transparent formulation of optimal control problems of finite-time thermodynamic transitions. Based on this formulation, we turn to an evaluative discussion of recent results on optimal thermodynamic control and their interpretation.

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

    E-Print Network [OSTI]

    J. Leenaarts; M. Carlsson; V. Hansteen; R. J. Rutten

    2007-09-24T23:59:59.000Z

    The ionization of hydrogen in the solar chromosphere and transition region does not obey LTE or instantaneous statistical equilibrium because the timescale is long compared with important hydrodynamical timescales, especially of magneto-acoustic shocks. We implement an algorithm to compute non-equilibrium hydrogen ionization and its coupling into the MHD equations within an existing radiation MHD code, and perform a two-dimensional simulation of the solar atmosphere from the convection zone to the corona. Analysis of the simulation results and comparison to a companion simulation assuming LTE shows that: a) Non-equilibrium computation delivers much smaller variations of the chromospheric hydrogen ionization than for LTE. The ionization is smaller within shocks but subsequently remains high in the cool intershock phases. As a result, the chromospheric temperature variations are much larger than for LTE because in non-equilibrium, hydrogen ionization is a less effective internal energy buffer. The actual shock temperatures are therefore higher and the intershock temperatures lower. b) The chromospheric populations of the hydrogen n = 2 level, which governs the opacity of Halpha, are coupled to the ion populations. They are set by the high temperature in shocks and subsequently remain high in the cool intershock phases. c) The temperature structure and the hydrogen level populations differ much between the chromosphere above photospheric magnetic elements and above quiet internetwork. d) The hydrogen n = 2 population and column density are persistently high in dynamic fibrils, suggesting that these obtain their visibility from being optically thick in Halpha also at low temperature.

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

    E-Print Network [OSTI]

    Liu, Yunqi; Wang, Bin

    2015-01-01T23:59:59.000Z

    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...

  20. Canonical Quantization for a Relativistic Neutral Scalar Field in Non-equilibrium Thermo Field Dynamics

    E-Print Network [OSTI]

    Yuichi Mizutani; Tomohiro Inagaki; Yusuke Nakamura; Yoshiya Yamanaka

    2011-09-05T23:59:59.000Z

    A relativistic neutral scalar field is investigated in non-equilibrium thermo field dynamics. The canonical quantization is applied to the fields out of equilibrium. Because the thermal Bogoliubov transformation becomes time-dependent, the equations of motion for the ordinary unperturbed creation and annihilation operators are modified. This forces us to introduce a thermal counter term in the interaction Hamiltonian which generates additional radiative corrections. Imposing the self-consistency renormalization condition on the total radiative corrections, we obtain the quantum Boltzmann equation for the relativistic scalar field.

  1. Non-Equilibrium Thermo Field Dynamics for Relativistic Complex Scalar and Dirac Fields

    E-Print Network [OSTI]

    Yuichi Mizutani; Tomohiro Inagaki

    2012-05-02T23:59:59.000Z

    Relativistic quantum field theories for complex scalar and Dirac fields are investigated in non-equilibrium thermo field dynamics. The thermal vacuum is defined by the Bogoliubov transformed creation and annihilation operators. Two independent Bogoliubov parameters are introduced for a charged field. Its difference naturally induces the chemical potential. Time-dependent thermal Bogoliubov transformation generates the thermal counter terms. We fix the terms by the self-consistency renormalization condition. Evaluating the thermal self-energy under the self-consistency renormalization condition, we derive the quantum Boltzmann equations for the relativistic fields.

  2. Boltzmann Equation for Relativistic Neutral Scalar Field in Non-equilibrium Thermo Field Dynamics

    E-Print Network [OSTI]

    Yuichi Mizutani; Tomohiro Inagaki

    2011-03-18T23:59:59.000Z

    A relativistic neutral scalar field is investigated on the basis of the Schwinger-Dyson equation in the non-equilibrium thermo field dynamics. A time evolution equation for a distribution function is obtained from a diagonalization condition for the Schwinger-Dyson equation. An explicit expression of the time evolution equation is calculated in the $\\lambda\\phi^4$ interaction model at the 2-loop level. The Boltzmann equation is derived for the relativistic scalar field. We set a simple initial condition and numerically solve the Boltzmann equation and show the time evolution of the distribution function and the relaxation time.

  3. Similarity of coupled non-equilibrium flows behind normal shock waves

    E-Print Network [OSTI]

    Dalton, James Verne

    1968-01-01T23:59:59.000Z

    at constant pressure Dissociation energy per molecule Average energy gained by vibra- tion due to recombination (per unit mass) Average energy lost from vibra- tion due to dissociation (per unit mass) Vibrational energy per unit mass Same as E (T... reverse reaction-rate cons tant N [N&] p Length of non-equilibrium zone Mach number Mass of an atom of nitrogen Number of vibrational levels in- cluded in dissociation energy Concentration of ni trogen Pressure moles/cc dynes/cmE vii Dei R...

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

    SciTech Connect (OSTI)

    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)

    2014-09-14T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Benjamin Doyon

    2014-10-01T23:59:59.000Z

    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.

  6. Discrete Boltzmann modeling of multiphase flows: hydrodynamic and thermodynamic non-equilibrium effects

    E-Print Network [OSTI]

    Yanbiao Gan; Aiguo Xu; Guangcai Zhang; Sauro Succi

    2015-05-11T23:59:59.000Z

    A discrete Boltzmann model (DBM) is developed to investigate the hydrodynamic and thermodynamic non-equilibrium (TNE) effects in phase separation processes. The interparticle force drives changes and the gradient force, induced by gradients of macroscopic quantities, opposes them. In this paper, we investigate the interplay between them by providing detailed inspection of various non-equilibrium observables. Based on the TNE features, we define a TNE strength which roughly estimates the deviation amplitude from the thermodynamic equilibrium. The time evolution of the TNE intensity provides a convenient and efficient physical criterion to discriminate the stages of the spinodal decomposition and domain growth. Via the DBM simulation and this criterion, we quantitatively study the effects of latent heat and surface tension on phase separation. It is found that, the TNE strength attains its maximum at the end of the spinodal decomposition stage, and it decreases when the latent heat increases from zero. The surface tension effects are threefold, to prolong the duration of the spinodal decomposition stage, decrease the maximum TNE intensity, and accelerate the speed of the domain growth stage.

  7. A definition of thermodynamic entropy valid for non-equilibrium states and few-particle systems

    E-Print Network [OSTI]

    Gian Paolo Beretta; Enzo Zanchini

    2014-11-19T23:59:59.000Z

    From a new rigorous formulation of the general axiomatic foundations of thermodynamics we derive an operational definition of entropy that responds to the emergent need in many technological frameworks to understand and deploy thermodynamic entropy well beyond the traditional realm of equilibrium states of macroscopic systems. The new definition is achieved by avoiding to resort to the traditional concepts of "heat" (which restricts $a$ $priori$ the traditional definitions of entropy to the equilibrium domain) and of "thermal reservoir" (which restricts $in$ $practice$ our previous definitions of non-equilibrium entropy to the many-particle domain). The measurement procedure that defines entropy is free from intrinsic limitations and can be applied, $in$ $principle$, even to non-equilibrium states of few-particle systems, provided they are separable and uncorrelated. The construction starts from a previously developed set of carefully worded operational definitions for all the basic concepts. Then, through a new set of fully spelled-out fundamental hypotheses (four postulates and five assumptions) we derive the definitions of energy and entropy of any state, and of temperature of any stable equilibrium state. Finally, we prove the principle of entropy non-decrease, the additivity of entropy differences, the maximum entropy principle, and the impossibility of existence of a thermal reservoir.

  8. Non-equilibrium transition from dissipative quantum walk to classical random walk

    E-Print Network [OSTI]

    Marco Nizama; Manuel O. Cáceres

    2012-06-26T23:59:59.000Z

    We have investigated the time-evolution of a free particle in interaction with a phonon thermal bath, using the tight-binding approach. A dissipative quantum walk can be defined and many important non-equilibrium decoherence properties can be investigated analytically. The non-equilibrium statistics of a pure initial state have been studied. Our theoretical results indicate that the evolving wave-packet shows the suppression of Anderson's boundaries (ballistic peaks) by the presence of dissipation. Many important relaxation properties can be studied quantitatively, such as von Neumann's entropy and quantum purity. In addition, we have studied Wigner's function. The time-dependent behavior of the quantum entanglement between a free particle -in the lattice- and the phonon bath has been characterized analytically. This result strongly suggests the non-trivial time-dependence of the off-diagonal elements of the reduced density matrix of the system. We have established a connection between the quantum decoherence and the dissipative parameter arising from interaction with the phonon bath. The time-dependent behavior of quantum correlations has also been pointed out, showing continuous transition from quantum random walk to classical random walk, when dissipation increases.

  9. Laser induced plasma on copper target, a non-equilibrium model

    SciTech Connect (OSTI)

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

    2014-02-15T23:59:59.000Z

    The aim of this work is to present a comprehensive numerical model for the UV laser ablation of metal targets, it focuses mainly on the prediction of laser induced plasma thresholds, the effect of the laser-plasma interaction, and the importance of the electronic non-equilibrium in the laser induced plume and its expansion in the background gas. This paper describes a set of numerical models for laser-matter interaction between 193-248 and 355?nm lasers and a copper target. Along with the thermal effects inside the material resulting from the irradiation of the latter with the pulsed laser, the laser-evaporated matter interaction and the plasma formation are thoroughly modelled. In the laser induced plume, the electronic nonequilibrium and the laser beam absorption have been investigated. Our calculations of the plasmas ignition thresholds on copper targets have been validated and compared to experimental as well as theoretical results. Comparison with experiment data indicates that our results are in good agreement with those reported in the literature. Furthermore, the inclusion of electronic non-equilibrium in our work indicated that this important process must be included in models of laser ablation and plasma plume formation.

  10. Manipulating shear-induced non-equilibrium transitions by feedback control

    E-Print Network [OSTI]

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

    2014-11-04T23:59:59.000Z

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

  11. Dilution and resonance enhanced repulsion in non-equilibrium fluctuation forces

    E-Print Network [OSTI]

    Bimonte, Giuseppe; Kruger, Matthias; Kardar, Mehran

    2011-01-01T23:59:59.000Z

    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.

  12. Dilution and resonance enhanced repulsion in non-equilibrium fluctuation forces

    E-Print Network [OSTI]

    Giuseppe Bimonte; Thorsten Emig; Matthias Kruger; Mehran Kardar

    2011-07-08T23:59:59.000Z

    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.

  13. Exponential approach to, and properties of, a non-equilibrium steady state in a dilute gas

    E-Print Network [OSTI]

    Eric A. Carlen; Joel L. Lebowitz; Clement Mouhot

    2014-06-16T23:59:59.000Z

    We investigate a kinetic model of a system in contact with several thermal reservoirs at different temperatures $T_\\alpha$. Our system is a spatially uniform dilute gas whose internal dynamics is described by the nonlinear Boltzmann equation with Maxwellian collisions. Similarly, the interaction with reservoir $\\alpha$ is represented by a Markovian process that has the Maxwellian $M_{T_\\alpha}$ as its stationary state. We prove existence and uniqueness of a non-equilibrium steady state (NESS) and show exponential convergence to this NESS in a metric on probability measures introduced into the study of Maxwellian collisions by Gabetta, Toscani and Wenberg (GTW). This shows that the GTW distance between the current velocity distribution to the steady-state velocity distribution is a Lyapunov functional for the system. We also derive expressions for the entropy production in the system plus the reservoirs which is always positive.

  14. Dynamic Implicit 3D Adaptive Mesh Refinement for Non-Equilibrium Radiation Diffusion

    SciTech Connect (OSTI)

    Philip, Bobby [ORNL] [ORNL; Wang, Zhen [ORNL] [ORNL; Berrill, Mark A [ORNL] [ORNL; Rodriguez Rodriguez, Manuel [ORNL] [ORNL; Pernice, Michael [Idaho National Laboratory (INL)] [Idaho National Laboratory (INL)

    2014-01-01T23:59:59.000Z

    The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multiphysics systems: implicit time integration for efficient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent linear solver convergence.

  15. Will there be future deceleration? A study of particle creation mechanism in non-equilibrium thermodynamics

    E-Print Network [OSTI]

    Supriya Pan; Subenoy Chakraborty

    2015-04-12T23:59:59.000Z

    The paper deals with non-equilibrium thermodynamics based on adiabatic particle creation mechanism with the motivation of considering it as an alternative choice to explain the recent observed accelerating phase of the universe. Using Friedmann equations, it is shown that the deceleration parameter ($q$) can be obtained from the knowledge of the particle production rate ($\\Gamma$). Motivated from thermodynamical point of view, cosmological solutions are evaluated for the particle creation rates in three cosmic phases, namely, inflation, matter dominated and present late time acceleration. The deceleration parameter ($q$) is expressed as a function of the redshift parameter ($z$), and its variation is presented graphically. Also, statefinder analysis has been presented graphically in three different phases of the universe. Finally, two non-interacting fluids with different particle creation rates are considered as cosmic substratum, and deceleration parameter ($q$) is evaluated. It is examined whether more than one transition of $q$ is possible or not by graphical representations.

  16. Non-equilibrium statistical field theory for classical particles: Basic kinetic theory

    E-Print Network [OSTI]

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

    2014-01-01T23:59:59.000Z

    Recently Mazenko and Das and Mazenko introduced a non-equilibrium field theoretical approach to describe the statistical properties of a classical particle ensemble starting from the microscopic equations of motion of each individual particle. We use this theory to investigate the transition from those microscopic degrees of freedom to the evolution equations of the macroscopic observables of the ensemble. For the free theory, we recover the continuity and Jeans equations of a collisionless gas. For a theory containing two-particle interactions in a canonical perturbation series, we find the macroscopic evolution equations to be described by the Born-Bogoliubov-Green-Kirkwood-Yvon hierarchy (BBGKY hierarchy) with a truncation criterion depending on the order in perturbation theory. This establishes a direct link between the classical and the field-theoretical approaches to kinetic theory that might serve as a starting point to investigate kinetic theory beyond the classical limits.

  17. NON-EQUILIBRIUM THERMODYNAMIC PROCESSES: SPACE PLASMAS AND THE INNER HELIOSHEATH

    SciTech Connect (OSTI)

    Livadiotis, G.; McComas, D. J., E-mail: glivadiotis@swri.edu [Southwest Research Institute, San Antonio, TX (United States)

    2012-04-10T23:59:59.000Z

    Recently, empirical kappa distribution, commonly used to describe non-equilibrium systems like space plasmas, has been connected with non-extensive statistical mechanics. Here we show how a consistent definition of the temperature and pressure is developed for stationary states out of thermal equilibrium, so that the familiar ideal gas state equation still holds. In addition to the classical triplet of temperature, pressure, and density, this generalization requires the kappa index as a fourth independent thermodynamic variable that characterizes the non-equilibrium stationary states. All four of these thermodynamic variables have key roles in describing the governing thermodynamical processes and transitions in space plasmas. We introduce a novel characterization of isothermal and isobaric processes that describe a system's transition into different stationary states by varying the kappa index. In addition, we show how the variation of temperature or/and pressure can occur through an 'iso-q' process, in which the system remains in a fixed stationary state (fixed kappa index). These processes have been detected in the proton plasma in the inner heliosheath via specialized data analysis of energetic neutral atom (ENA) observations from Interstellar Boundary Explorer. In particular, we find that the temperature is highly correlated with (1) kappa, asymptotically related to isothermal ({approx}1,000,000 K) and iso-q ({kappa} {approx} 1.7) processes; and (2) density, related to an isobaric process, which separates the 'Ribbon', P Almost-Equal-To 3.2 pdyn cm{sup -2}, from the globally distributed ENA flux, P Almost-Equal-To 2 pdyn cm{sup -2}.

  18. A thermo-hydro-mechanical coupled model in local thermal non-equilibrium for fractured HDR reservoir

    E-Print Network [OSTI]

    Boyer, Edmond

    artificially fractured hot dry rock (HDR) reservoirs requires three main ingredients: (1) a proper thermoA thermo-hydro-mechanical coupled model in local thermal non-equilibrium for fractured HDR reservoir Rachel Geleta,b , Benjamin Loreta, , Nasser Khalilib aLaboratoire Sols, Solides, Structures, B

  19. Single-Photon Detection, Kinetic Inductance, and Non-Equilibrium Dynamics in Niobium and Niobium Nitride Superconducting Nanowires

    E-Print Network [OSTI]

    Devoret, Michel H.

    Abstract Single-Photon Detection, Kinetic Inductance, and Non-Equilibrium Dynamics in Niobium and Niobium Nitride Superconducting Nanowires Anthony Joseph Annunziata 2010 This thesis is a study of superconducting niobium and niobium nitride nanowires used as single optical and near-infrared photon detectors

  20. Cosmological QCD phase transition in steady non-equilibrium dissipative Ho?ava-Lifshitz early universe

    E-Print Network [OSTI]

    M. Khodadi; H. R. Sepangi

    2014-05-20T23:59:59.000Z

    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 to entropy density $\\frac{\\xi}{s}$. We assume that the bulk viscosity cosmological background fluid obeys the evolution equation of the steady truncated (Eckart) and full version of the Israel-Stewart fluid, respectively.

  1. Radiation-induced non-equilibrium redox chemistry of plutonium: implications for environmental migration

    SciTech Connect (OSTI)

    Haschke, J M; Siekhaus, W J

    2009-02-11T23:59:59.000Z

    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. Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion

    SciTech Connect (OSTI)

    B. Philip; Z. Wang; M.A. Berrill; M. Birke; M. Pernice

    2014-04-01T23:59:59.000Z

    The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton–Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

  3. Cosmological QCD phase transition in steady non-equilibrium dissipative Ho?ava–Lifshitz early universe

    SciTech Connect (OSTI)

    Khodadi, M., E-mail: M.Khodadi@sbu.ac.ir; Sepangi, H.R., E-mail: hr-sepangi@sbu.ac.ir

    2014-07-15T23:59:59.000Z

    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 ?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?ava–Lifshitz cosmology within an effective model of QCD. We consider a flat Friedmann–Robertson–Walker universe filled with a non-causal and a causal bulk viscous cosmological fluid respectively and investigate the effects of the running coupling constants of Ho?ava–Lifshitz gravity, ?, 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 to entropy density (?)/s . We assume that the bulk viscosity cosmological background fluid obeys the evolution equation of the steady truncated (Eckart) and full version of the Israel–Stewart fluid, respectively. -- Highlights: •In this paper we have studied quark–hadron phase transition in the early universe in the context of the Ho?ava–Lifshitz model. •We use a flat FRW universe with the bulk viscosity cosmological background fluid obeying the evolution equation of the steady truncated (Eckart) and full version of the Israel–Stewart fluid, respectively.

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

    SciTech Connect (OSTI)

    Tassis, Konstantinos; Willacy, Karen; Yorke, Harold W.; Turner, Neal J. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States)

    2012-07-20T23:59:59.000Z

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

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

    E-Print Network [OSTI]

    D. A. Head; W. J. Briels; G. Gompper

    2014-02-26T23:59:59.000Z

    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 organisation and dynamics on molecular and supra-molecular length scales. 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 observed structures on the motor rate and the filament concentration can be captured by a simple one-filament model. Loosely bound aggregates exhibit super-diffusive mass transport, where filament translocation scales with lag time with non-unique exponents that depend on motor kinetics. An empirical data collapse of filament speed as a function of motor speed and end-detachment is found, suggesting a dimensional reduction of the relevant parameter space. We conclude by discussing the perspectives of microscopic modelling in the field of active gels.

  6. Non-equilibrium steady state and subgeometric ergodicity for a chain of three coupled rotors

    E-Print Network [OSTI]

    Noé Cuneo; Jean-Pierre Eckmann; Christophe Poquet

    2014-11-03T23:59:59.000Z

    We consider a chain of three rotors (rotators) whose ends are coupled to stochastic heat baths. The temperatures of the two baths can be different, and we allow some constant torque to be applied at each end of the chain. Under some non-degeneracy condition on the interaction potentials, we show that the process admits a unique invariant probability measure, and that it is ergodic with a stretched exponential rate. The interesting issue is to estimate the rate at which the energy of the middle rotor decreases. As it is not directly connected to the heat baths, its energy can only be dissipated through the two outer rotors. But when the middle rotor spins very rapidly, it fails to interact effectively with its neighbors due to the rapid oscillations of the forces. By averaging techniques, we obtain an effective dynamics for the middle rotor, which then enables us to find a Lyapunov function. This and an irreducibility argument give the desired result. We finally illustrate numerically some properties of the non-equilibrium steady state.

  7. Response Theory for Equilibrium and Non-Equilibrium Statistical Mechanics: Causality and Generalized Kramers-Kronig relations

    E-Print Network [OSTI]

    Valerio Lucarini

    2007-10-04T23:59:59.000Z

    We consider the general response theory 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 allows for writing a set of Kramers-Kronig relations for the corresponding susceptibilities at all orders of nonlinearity. Nonetheless, only a special class of observable susceptibilities obey Kramers-Kronig relations. Specific results are provided for arbitrary order harmonic response, which allows for a very comprehensive Kramers-Kronig analysis and the establishment of sum rules connecting the asymptotic behavior of the susceptibility to the short-time response of the system. These results generalize previous findings on optical Hamiltonian systems and simple mechanical models, and shed light on the general impact of considering the principle of causality for testing self-consistency: the described dispersion relations constitute unavoidable benchmarks for any experimental and model generated dataset. In order to connect the response theory for equilibrium and non equilibrium systems, we rewrite the classical results 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. We briefly discuss how these results, taking into account the chaotic hypothesis, might be relevant for 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, Kramers-Kronig relations might be more robust tools for the definition of a self-consistent theory of climate change.

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

    SciTech Connect (OSTI)

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

    2014-03-14T23:59:59.000Z

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

  9. A complete cosmic scenario from inflation to late time acceleration: Non-equilibrium thermodynamics in the context of particle creation

    E-Print Network [OSTI]

    Subenoy Chakraborty; Subhajit Saha

    2015-07-06T23:59:59.000Z

    The paper deals with the mechanism of particle creation in the framework of irreversible thermodynamics. The second order non-equilibrium thermodynamical prescription of Israel and Stewart has been presented with particle creation rate, treated as the dissipative effect. In the background of a flat FRW model, we assume the non-equilibrium thermodynamical process to be isentropic so that the entropy per particle does not change and consequently the dissipative pressure can be expressed linearly in terms of the particle creation rate. Here the dissipative pressure behaves as a dynamical variable having a non-linear inhomogeneous evolution equation and the entropy flow vector satisfies the second law of thermodynamics. Further, using the Friedmann equations and by proper choice of the particle creation rate as a function of the Hubble parameter, it is possible to show (separately) a transition from the inflationary phase to the radiation era and also from matter dominated era to late time acceleration. Also, in analogy to analytic continuation, it is possible to show a continuous cosmic evolution from inflation to late time acceleration by adjusting the parameters. It is found that in the de Sitter phase, the comoving entropy increases exponentially with time, keeping entropy per particle unchanged. Subsequently, the above cosmological scenarios has been described from field theoretic point of view by introducing a scalar field having self interacting potential. Finally, we make an attempt to show the cosmological phenomenon of particle creation as Hawking radiation, particularly during the inflationary era.

  10. Non-Newtonian behavior and molecular structure of Cooee bitumen under shear flow: a non-equilibrium molecular dynamics study

    E-Print Network [OSTI]

    Lemarchand, Claire A; Todd, Billy D; Daivis, Peter J; Hansen, Jesper S

    2015-01-01T23:59:59.000Z

    The rheology and molecular structure of a model bitumen (Cooee bitumen) under shear is investigated in the non-Newtonian regime using non-equilibrium molecular dynamics simulations. The shear viscosity and normal stress differences of the bitumen mixture are computed at different shear rates and different temperatures. The model bitumen is shown to be a shear-thinning fluid. The corresponding molecular structure is studied at the same shear rates and temperatures. The Cooee bitumen is able to reproduce experimental results showing the formation of nanoaggregates composed of stacks of flat aromatic molecules. These nanoaggregates are immersed in a solvent of saturated hydrocarbon molecules. The nanoaggregates are shown to break up at very high shear rates, leading only to a minor effect on the viscosity of the mixture. At low shear rates, bitumen can be seen as a colloidal suspension of nanoaggregates in a solvent. The slight anisotropy of the whole sample due to the nanoaggregates is considered and quantified...

  11. The non-equilibrium response of a superconductor to pair-breaking radiation measured over a broad frequency band

    E-Print Network [OSTI]

    de Visser, P J; Guruswamy, T; Goldie, D J; Withington, S; Neto, A; Llombart, N; Baryshev, A M; Klapwijk, T M; Baselmans, J J A

    2015-01-01T23:59:59.000Z

    We have measured the absorption of terahertz radiation in a BCS superconductor over a broad range of frequencies from 200 GHz to 1.1 THz, using a broadband antenna-lens system and a tantalum microwave resonator. From low frequencies, the response of the resonator rises rapidly to a maximum at the gap edge of the superconductor. From there on the response drops to half the maximum response at twice the pair-breaking energy. At higher frequencies, the response rises again due to trapping of pair-breaking phonons in the superconductor. In practice this is the first measurement of the frequency dependence of the quasiparticle creation efficiency due to pair-breaking in a superconductor. The efficiency, calculated from the different non-equilibrium quasiparticle distribution functions at each frequency, is in agreement with the measurements.

  12. Comparative analysis of quantum cascade laser modeling based on density matrices and non-equilibrium Green's functions

    SciTech Connect (OSTI)

    Lindskog, M., E-mail: martin.lindskog@teorfys.lu.se; Wacker, A. [Mathematical Physics, Lund University, Box 118, 22100 Lund (Sweden); Wolf, J. M.; Liverini, V.; Faist, J. [ETH Institute for Quantum Electronics, ETH-Zürich, 8093 Zürich (Switzerland); Trinite, V.; Maisons, G.; Carras, M. [III-V Lab, 1 Avenue Augustin Fresnel, 91767 Palaiseau (France); Aidam, R.; Ostendorf, R. [Fraunhofer-Institut für Angewandte Festkörperphysik, Tullastrasse 72, 79108 Freiburg (Germany)

    2014-09-08T23:59:59.000Z

    We study the operation of an 8.5??m quantum cascade laser based on GaInAs/AlInAs lattice matched to InP using three different simulation models based on density matrix (DM) and non-equilibrium Green's function (NEGF) formulations. The latter advanced scheme serves as a validation for the simpler DM schemes and, at the same time, provides additional insight, such as the temperatures of the sub-band carrier distributions. We find that for the particular quantum cascade laser studied here, the behavior is well described by simple quantum mechanical estimates based on Fermi's golden rule. As a consequence, the DM model, which includes second order currents, agrees well with the NEGF results. Both these simulations are in accordance with previously reported data and a second regrown device.

  13. Predicting the stellar and non-equilibrium dust emission spectra of high-resolution simulated galaxies with DART-Ray

    E-Print Network [OSTI]

    Natale, Giovanni; Tuffs, Richard J; Debattista, Victor P; Fischera, Jörg; Grootes, Meiert W

    2015-01-01T23:59:59.000Z

    We describe the calculation of the stochastically heated dust emission using the 3D ray-tracing dust radiative transfer code DART-Ray, which is designed to solve the dust radiative transfer problem for galaxies with arbitrary geometries. In order to reduce the time required to derive the non-equilibrium dust emission spectra from each volume element within a model, we implemented an adaptive SED library approach, which we tested for the case of axisymmetric galaxy geometries. To show the capabilities of the code, we applied DART-Ray to a high-resolution N-body+SPH galaxy simulation to predict the appearance of the simulated galaxy at a set of wavelengths from the UV to the sub-mm. We analyse the results to determine the effect of dust on the observed radial and vertical profiles of the stellar emission as well as on the attenuation and scattering of light from the constituent stellar populations. We also quantify the proportion of dust re-radiated stellar light powered by young and old stellar populations, bo...

  14. Non-Newtonian behavior and molecular structure of Cooee bitumen under shear flow: a non-equilibrium molecular dynamics study

    E-Print Network [OSTI]

    Claire A. Lemarchand; Nicholas P. Bailey; Billy D. Todd; Peter J. Daivis; Jesper S. Hansen

    2015-01-03T23:59:59.000Z

    The rheology and molecular structure of a model bitumen (Cooee bitumen) under shear is investigated in the non-Newtonian regime using non-equilibrium molecular dynamics simulations. The shear viscosity and normal stress differences of the bitumen mixture are computed at different shear rates and different temperatures. The model bitumen is shown to be a shear-thinning fluid. The corresponding molecular structure is studied at the same shear rates and temperatures. The Cooee bitumen is able to reproduce experimental results showing the formation of nanoaggregates composed of stacks of flat aromatic molecules. These nanoaggregates are immersed in a solvent of saturated hydrocarbon molecules. The nanoaggregates are shown to break up at very high shear rates, leading only to a minor effect on the viscosity of the mixture. At low shear rates, bitumen can be seen as a colloidal suspension of nanoaggregates in a solvent. The slight anisotropy of the whole sample due to the nanoaggregates is considered and quantified. The alignment of docosane molecules due to form and intrinsic birefringence and its effect on the rheological properties of the mixture are discussed. The stress optical rule is shown to be valid only in a limited range of shear rates at high temperatures, because this rule neglects the presence of other molecule types than docosane at high shear rates and the effect of intermolecular alignment, which gets more pronounced at high shear rates.

  15. Stark broadening for diagnostics of the electron density in non-equilibrium plasma utilizing isotope hydrogen alpha lines

    SciTech Connect (OSTI)

    Yang, Lin [Institute of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Institute of Electronic Engineering, China Academy of Engineering Physics, Mianyang 621900 (China); Tan, Xiaohua; Wan, Xiang; Chen, Lei; Jin, Dazhi; Qian, Muyang [Institute of Electronic Engineering, China Academy of Engineering Physics, Mianyang 621900 (China); Li, Gongping, E-mail: ligp@lzu.edu.cn [Institute of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China)

    2014-04-28T23:59:59.000Z

    Two Stark broadening parameters including FWHM (full width at half maximum) and FWHA (full width at half area) of isotope hydrogen alpha lines are simultaneously introduced to determine the electron density of a pulsed vacuum arc jet. To estimate the gas temperature, the rotational temperature of the C{sub 2} Swan system is fit to 2500?±?100?K. A modified Boltzmann-plot method with b{sub i}-factor is introduced to determine the modified electron temperature. The comparison between results of atomic and ionic lines indicates the jet is in partial local thermodynamic equilibrium and the electron temperature is close to 13?000?±?400?K. Based on the computational results of Gig-Card calculation, a simple and precise interpolation algorithm for the discrete-points tables can be constructed to obtain the traditional n{sub e}-T{sub e} diagnostic maps of two Stark broadening parameters. The results from FWHA formula by the direct use of FWHM?=?FWHA and these from the diagnostic map are different. It can be attributed to the imprecise FWHA formula form and the deviation between FWHM and FWHA. The variation of the reduced mass pair due to the non-equilibrium effect contributes to the difference of the results derived from two hydrogen isotope alpha lines. Based on the Stark broadening analysis in this work, a corrected method is set up to determine n{sub e} of (1.10?±?0.08)?×?10{sup 21}?m{sup ?3}, the reference reduced mass ?{sub 0} pair of (3.30?±?0.82 and 1.65?±?0.41), and the ion kinetic temperature of 7900?±?1800?K.

  16. THE ABUNDANCE OF MOLECULAR HYDROGEN AND ITS CORRELATION WITH MIDPLANE PRESSURE IN GALAXIES: NON-EQUILIBRIUM, TURBULENT, CHEMICAL MODELS

    SciTech Connect (OSTI)

    Mac Low, Mordecai-Mark [Department of Astrophysics, American Museum of Natural History, Central Park West at 79th Street, New York, NY 10024 (United States); Glover, Simon C. O., E-mail: mordecai@amnh.org, E-mail: glover@uni-heidelberg.de [Zentrum der Astrophysik der Universitaet Heidelberg, Institut fuer Theoretische Astrophysik, Albert-Ueberle-Strasse 2, 69120 Heidelberg (Germany)

    2012-02-20T23:59:59.000Z

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R{sub mol} and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H{sub 2} from cold atomic gas. The formation timescale for H{sub 2} is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H{sub 2} formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H{sub 2} formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H{sub 2}. The observed correlation of R{sub mol} with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R{sub mol} with density. If we examine the value of R{sub mol} in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  17. NON-EQUILIBRIUM CHEMISTRY OF DYNAMICALLY EVOLVING PRESTELLAR CORES. I. BASIC MAGNETIC AND NON-MAGNETIC MODELS AND PARAMETER STUDIES

    SciTech Connect (OSTI)

    Tassis, Konstantinos; Willacy, Karen; Yorke, Harold W.; Turner, Neal J. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States)

    2012-07-01T23:59:59.000Z

    We combine dynamical and non-equilibrium chemical modeling of evolving prestellar molecular cloud cores and investigate the evolution of molecular abundances in the contracting core. We model both magnetic cores, with varying degrees of initial magnetic support, and non-magnetic cores, with varying collapse delay times. We explore, through a parameter study, the competing effects of various model parameters in the evolving molecular abundances, including the elemental C/O ratio, the temperature, and the cosmic-ray ionization rate. We find that different models show their largest quantitative differences at the center of the core, whereas the outer layers, which evolve slower, have abundances which are severely degenerate among different dynamical models. There is a large range of possible abundance values for different models at a fixed evolutionary stage (central density), which demonstrates the large potential of chemical differentiation in prestellar cores. However, degeneracies among different models, compounded with uncertainties induced by other model parameters, make it difficult to discriminate among dynamical models. To address these difficulties, we identify abundance ratios between particular molecules, the measurement of which would have maximal potential for discrimination among the different models examined here. In particular, we find that the ratios between NH{sub 3} and CO, NH{sub 2} and CO, and NH{sub 3} and HCO{sup +} are sensitive to the evolutionary timescale, and that the ratio between HCN and OH is sensitive to the C/O ratio. Finally, we demonstrate that measurements of the central deviation (central depletion or enhancement) of abundances of certain molecules are good indicators of the dynamics of the core.

  18. Enhanced heat transfer through filler-polymer interface by surface-coupling agent in heat-dissipation material: A non-equilibrium molecular dynamics study

    SciTech Connect (OSTI)

    Tanaka, Kouichi [DENSO CORPORATION, Kariya, Aichi 448-8661 (Japan); Graduate School of Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Ogata, Shuji; Kobayashi, Ryo; Tamura, Tomoyuki [Graduate School of Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Kitsunezuka, Masashi; Shinma, Atsushi [DENSO CORPORATION, Kariya, Aichi 448-8661 (Japan)

    2013-11-21T23:59:59.000Z

    Developing a composite material of polymers and micrometer-sized fillers with higher heat conductance is crucial to realize modular packaging of electronic components at higher densities. Enhancement mechanisms of the heat conductance of the polymer-filler interfaces by adding the surface-coupling agent in such a polymer composite material are investigated through the non-equilibrium molecular dynamics (MD) simulation. A simulation system is composed of ?-alumina as the filler, bisphenol-A epoxy molecules as the polymers, and model molecules for the surface-coupling agent. The inter-atomic potential between the ?-alumina and surface-coupling molecule, which is essential in the present MD simulation, is constructed to reproduce the calculated energies with the electronic density-functional theory. Through the non-equilibrium MD simulation runs, we find that the thermal resistance at the interface decreases significantly by increasing either number or lengths of the surface-coupling molecules and that the effective thermal conductivity of the system approaches to the theoretical value corresponding to zero thermal-resistance at the interface. Detailed analyses about the atomic configurations and local temperatures around the interface are performed to identify heat-transfer routes through the interface.

  19. Problems on Non-Equilibrium Statistical Physics 

    E-Print Network [OSTI]

    Kim, Moochan

    2011-08-08T23:59:59.000Z

    weakly interacting Boson gas. In the single-photon heat engine, we have derived the equation of state similar to that in classical ideal gas and applied it to construct the Carnot cycle with a single photon, and showed the Carnot efficiency in this single...

  20. Entanglement Production in Non-Equilibrium Thermodynamics

    E-Print Network [OSTI]

    V. Vedral

    2007-06-21T23:59:59.000Z

    We define and analyse the concept of entanglement production during the evolution of a general quantum mechanical dissipative system. While it is important to minimise entropy production in order to achieve thermodynamical efficiency, maximising the rate of change of entanglement is important in quantum information processing. Quantitative relations are obtained between entropy and entanglement productions, under specific assumptions detailed in the text. We apply these to the processes of dephasing and decay of correlations between two initially entangled qubits. Both the Master equation treatment as well as the higher Hilbert space analysis are presented. Our formalism is very general and contains as special cases many reported individual instance of entanglement dynamics, such as, for example, the recently discovered notion of the sudden death of entanglement.

  1. Master thesis Non-equilibrium Solidification

    E-Print Network [OSTI]

    Cambridge, University of

    Metallurgy Graduate Institute of Ferrous Technology Pohang University of Science and Technology 2011 #12 ferrite fraction is increased under higher cooling rates, the accuracy of diffusivity database or the cell and ferrite of the same composition have the same free energy As , but accounting for the stored energy

  2. Problems on Non-Equilibrium Statistical Physics

    E-Print Network [OSTI]

    Kim, Moochan

    2011-08-08T23:59:59.000Z

    energy functional, similar to the problem in dimensional scaling in the H-atom. For the C-atom, we got the ground state energy -37:82 eV with a relative error less than 6 %. The simplest molecular ion, H+ 2 , has been investigated by the quasi...

  3. Non-equilibrium thermodynamics of gravitational screens

    E-Print Network [OSTI]

    Laurent Freidel; Yuki Yokokura

    2014-05-19T23:59:59.000Z

    We study the Einstein gravity equations projected on a timelike surface, which represents the time evolution of what we call a gravitational screen. We show that such a screen possesses a surface tension and an internal energy, and that the Einstein equations reduce to the thermodynamic equations of a viscous bubble. We also provide a complete dictionary between gravitational and thermodynamical variables. In the non-viscous cases there are three thermodynamic equations which characterise a bubble dynamics: These are the first law, the Marangoni flow equation and the Young-Laplace equation. In all three equations the surface tension plays a central role: In the first law it appears as a work term per unit area, in the Marangoni flow its gradient drives a force, and in the Young-Laplace equation it contributes to a pressure proportional to the surface curvature. The gravity equations appear as a natural generalization of these bubble equations when the bubble itself is viscous and dynamical. In particular, it shows that the mechanism of entropy production for the viscous bubble is mapped onto the production of gravitational waves. We also review the relationship between surface tension and temperature, and discuss the usual black-hole thermodynamics from this point of view.

  4. Supersonic turbulent boundary layers with periodic mechanical non-equilibrium 

    E-Print Network [OSTI]

    Ekoto, Isaac Wesley

    2007-04-25T23:59:59.000Z

    questions have been raised. The fundamental questions this dissertation addressed are: (1) What are the effects of wall topology with sharp versus blunt leading edges? and (2) Is it possible that a further reduction of turbulent scales can occur if surface...

  5. Non-equilibrium singlettriplet Kondo effect in carbon nanotubes

    E-Print Network [OSTI]

    Loss, Daniel

    ­2 ­1 0 1 2 Si gate SiO2 Source Drain Nanotube a c b Figure 1 Experimental setup and shell/Au source and drain electrodes, spaced 250nm apart. Highly doped silicon below the SiO2 cap layer acted as a back-gate electrode. Room-temperature measurements of conductance as a function of back-gate voltage

  6. Is Soret Equilibrium a Non-Equilibrium Effect? Alois Wrger

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    'Aquitaine, Université de Bordeaux & CNRS, 351 cours de la Libération, 33405 Talence, France Recent thermophoretic

  7. Non-equilibrium fluctuation induced-phenomena in quantum electrodynamics

    E-Print Network [OSTI]

    Golyk, Vladyslav Alexander

    2014-01-01T23:59:59.000Z

    We study fluctuation-induced phenomena in systems out of thermal equilibrium, resulting from the stochastic nature of quantum and thermal fluctuations of electromagnetic currents and waves. Specifically, we study radiative ...

  8. Non-Equilibrium Pathways during Electrochemical Phase Transformations...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    level, where incomplete reactions and failure are prone to occur. Micrometric-sized lithium-manganese spinel cathode material - Li1+xMn2-xO4 - is one of the state-of-the-art...

  9. Equilibrium and non-equilibrium emission of complex fragments

    SciTech Connect (OSTI)

    Bowman, D.R.

    1989-08-01T23:59:59.000Z

    Complex fragment emission (Z{gt}2) has been studied in the reactions of 50, 80, and 100 MeV/u {sup 139}La + {sup 12}C, and 80 MeV/u {sup 139}La + {sup 27}Al, {sup nat}Cu, and {sup 197}Au. Charge, angle, and energy distributions were measured inclusively and in coincidence with other complex fragments, and were used to extract the source rapidities, velocity distributions, and cross sections. The experimental emission velocity distributions, charge loss distributions, and cross sections have been compared with calculations based on statistical compound nucleus decay. The binary signature of the coincidence events and the sharpness of the velocity distributions illustrate the primarily 2-body nature of the {sup 139}La + {sup 12}C reaction mechanism between 50 and 100 MeV/u. The emission velocities, angular distributions, and absolute cross sections of fragments of 20{le}Z{le}35 at 50 MeV/u, 19{le}Z{le}28 at 80 MeV/u, and 17{le}Z{le}21 at 100 MeV/u indicate that these fragments arise solely from the binary decay of compound nuclei formed in incomplete fusion reactions in which the {sup 139}La projectile picks up about one-half of the {sup 12}C target. In the 80 MeV/u {sup 139}La + {sup 27}Al, {sup nat}Cu, and {sup 197}Au reactions, the disappearance of the binary signature in the total charge and velocity distributions suggests and increase in the complex fragment and light charged particle multiplicity with increasing target mass. As in the 80 and 100 MeV/u {sup 139}La + {sup 12}C reactions, the lighter complex fragments exhibit anisotropic angular distributions and cross sections that are too large to be explained exclusively by statistical emission. 143 refs., 67 figs.

  10. Supersonic turbulent boundary layers with periodic mechanical non-equilibrium

    E-Print Network [OSTI]

    Ekoto, Isaac Wesley

    2007-04-25T23:59:59.000Z

    questions have been raised. The fundamental questions this dissertation addressed are: (1) What are the effects of wall topology with sharp versus blunt leading edges? and (2) Is it possible that a further reduction of turbulent scales can occur if surface...

  11. Non-equilibrium Lorentz gas on a curved space

    E-Print Network [OSTI]

    Felipe Barra; Thomas Gilbert

    2007-01-12T23:59:59.000Z

    The periodic Lorentz gas with external field and iso-kinetic thermostat is equivalent, by conformal transformation, to a billiard with expanding phase-space and slightly distorted scatterers, for which the trajectories are straight lines. A further time rescaling allows to keep the speed constant in that new geometry. In the hyperbolic regime, the stationary state of this billiard is characterized by a phase-space contraction rate, equal to that of the iso-kinetic Lorentz gas. In contrast to the iso-kinetic Lorentz gas where phase-space contraction occurs in the bulk, the phase-space contraction rate here takes place at the periodic boundaries.

  12. Thermal non-equilibrium transport in colloids Alois Wrger

    E-Print Network [OSTI]

    Boyer, Edmond

    to an Onsager cross coefficient that describes the coupling between heat and particle flows. In the last decade. Boundary layer approximation 6 B. Double-layer forces 7 C. Transport velocity 8 D. Non-uniform electrolyte condition 15 I. Size dependence 16 III. Dispersion and depletion forces 18 A. Colloid-polymer mixtures 18 B

  13. Non-equilibrium sedimentation of colloids on the particle scale

    E-Print Network [OSTI]

    C. Patrick Royall; Joachim Dzubiella; Matthias Schmidt; Alfons van Blaaderen

    2007-03-30T23:59:59.000Z

    We investigate sedimentation of model hard sphere-like colloidal dispersions confined in horizontal capillaries using laser scanning confocal microscopy, dynamical density functional theory, and Brownian dynamics computer simulations. For homogenized initial states we obtain quantitative agreement of the results from the respective approaches for the time evolution of the one-body density distribution and the osmotic pressure on the walls. We demonstrate that single particle information can be obtained experimentally in systems that were initialized further out-of-equilibrium such that complex lateral patterns form.

  14. Non-Equilibrium Pathways during Electrochemical Phase Transformations in

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC)Integrated CodesTransparencyDOE Project Taps HPCNew4 NewsSecurityNomination

  15. Highlights from theHighlights from the YamboYambo project:project: Excitonic polarons and non-equilibriumExcitonic polarons and non-equilibrium

    E-Print Network [OSTI]

    Marini, Andrea

    -gap insulators, PRB(R) 70,insulators, PRB(R) 70, 081103 (2004)081103 (2004) 2005 The Self-Consistent Module. TheThe band gap problem in DFT.band gap problem in DFT. PRB(R) 74, 161013 (2006)PRB(R) 74, 161013 (2006) ACFDT

  16. Sensitivity Analysis and Stochastic Simulations of Non-equilibrium Plasma Flow

    SciTech Connect (OSTI)

    Lin, Guang; Karniadakis, George E.

    2009-11-05T23:59:59.000Z

    We study parametric uncertainties involved in plasma flows and apply stochastic sensitivity analysis to rank the importance of all inputs to guide large-scale stochastic simulations. Specifically, we employ different gradient-based sensitivity methods, namely Morris, multi-element probabilistic collocation method (ME-PCM) on sparse grids, Quasi-Monte Carlo, and Monte Carlo methods. These approaches go beyond the standard ``One-At-a-Time" sensitivity analysis and provide a measure of the nonlinear interaction effects for the uncertain inputs. The objective is to perform systematic stochastic simulations of plasma flows treating only as {\\em stochastic processes} the inputs with the highest sensitivity index, hence reducing substantially the computational cost. Two plasma flow examples are presented to demonstrate the capability and efficiency of the stochastic sensitivity analysis. The first one is a two-fluid model in a shock tube while the second one is a one-fluid/two-temperature model in flow past a cylinder.

  17. Non-Equilibrium Magnetohydrodynamic Behavior of Plasmas having Complex, Evolving Morphology

    SciTech Connect (OSTI)

    Bellan, Paul M. [Caltech] [Caltech

    2014-03-13T23:59:59.000Z

    Our main activity has been doing lab experiments where plasmas having morphology and behavior similar to solar and astrophysical plasmas are produced and studied. The solar experiment is mounted on one end of a large vacuum chamber while the astrophysical jet experiment is mounted on the other end. Diagnostics are shared between the two experiments. The solar experiment produces arched plasma loops that behave very much like solar corona loops. The astrophysical jet experiment produces plasma jets that are very much like astrophysical jets. We have also done work on plasma waves, including general wave dispersions, and specific properties of kinetic Alfven waves and of whistler waves.

  18. Radiative transfer within non Beerian porous media with semitransparent and opaque phases in non equilibrium;

    E-Print Network [OSTI]

    Boyer, Edmond

    equilibrium; Application to reflooding of a nuclear reactor. Miloud Chahlafia,b,c , Fabien Belleta,b , Florian Transfer 55, 13-14 (2012) 3666-3676" DOI : 10.1016/j.ijheatmasstransfer.2012.02.067 #12;nuclear reactor flux Indexes - At the calculation point -+ Dimensionless 3 hal-00680676,version1-19Mar2012 #12;-(j) jth

  19. High-Efficiency Solid State Cooling Technologies: Non-Equilibrium Asymmetic Thermoelectrics (NEAT) Devices

    SciTech Connect (OSTI)

    None

    2010-09-01T23:59:59.000Z

    BEETIT Project: Sheetak is developing a thermoelectric-based solid state cooling system to replace typical air conditioners that use vapor compression to cool air. With noisy mechanical components, vapor compression systems use a liquid refrigerant to circulate within the air conditioner, absorb heat, and pump the heat out into the external environment. With no noisy moving parts or polluting refrigerants, thermoelectric systems rely on an electrical current being passed through the junction of the two different conducting materials to change temperature. Using advanced semiconductor technology, Sheetak is improving solid state cooling systems by using proprietary thermoelectric materials along with other innovations to achieve significant energy efficiency. Sheetak’s new design displaces compressor-based technology; improves reliability; and decreases energy usage. Sheetak’s use of semiconductor manufacturing methods leads to less material use—facilitating cheaper production.

  20. The Application of Dynamic Nuclear Polarization Enhanced NMR to Non-Equilibrium Systems

    E-Print Network [OSTI]

    Bowen, Sean Michael

    2012-02-14T23:59:59.000Z

    tool for kinetic analysis. It is shown that the DNP-NMR method agrees with the conventional UV method within the uncertainty of the measurement. Hyperpolarization in this modality presents both challenges and opportunities, each of which motivate...

  1. Adjoint-Based Aerothermodynamic Shape Design of Hypersonic Vehicles in Non-Equilibrium Flows

    E-Print Network [OSTI]

    Alonso, Juan J.

    switch parameter 0 Lax-Friedrich artificial dissipation parameter Domain boundary Diagonal matrix aerodynamic performance metrics (lift, drag, stability, etc.) and surface thermal conditions that are fed

  2. Geometry and temperature dependent thermal conductivity of diamond nanowires: A non-equilibrium molecular dynamics study

    E-Print Network [OSTI]

    Melnik, Roderick

    plasma etching of polycrystalline diamond films [7], microwave plasma assisted chemical vapor deposition. For theoretical calculations of proper- ties of nanosized diamond materials, polycrystalline diamond thin filmsGeometry and temperature dependent thermal conductivity of diamond nanowires: A non

  3. The behavior of matter under non-equilibrium conditions: Fundamental aspects and applications

    SciTech Connect (OSTI)

    Prigogine, I.

    1992-04-01T23:59:59.000Z

    This report briefly discusses concepts of chaotic systems. The topics discusses are: Bernoulli maps; mathematical aspects of the complex spectral representations; and large poincare systems. (LSP)

  4. Calculating free energy profiles in biomolecular systems from fast non-equilibrium processes

    E-Print Network [OSTI]

    Forney, Michael; Kosztin, Ioan

    2008-01-01T23:59:59.000Z

    Often gaining insight into the functioning of biomolecular systems requires to follow their dynamics along a microscopic reaction coordinate (RC) on a macroscopic time scale, which is beyond the reach of current all atom molecular dynamics (MD) simulations. A practical approach to this inherently multiscale problem is to model the system as a fictitious overdamped Brownian particle that diffuses along the RC in the presence of an effective potential of mean force (PMF) due to the rest of the system. By employing the recently proposed FR method [I. Kosztin et al., J. of Chem. Phys. 124, 064106 (2006)], which requires only a small number of fast nonequilibrium MD simulations of the system in both forward and time reversed directions along the RC, we reconstruct the PMF: (1) of deca-alanine as a function of its end-to-end distance, and (2) that guides the motion of potassium ions through the gramicidin A channel. In both cases the computed PMFs are found to be in good agreement with previous results obtained by ...

  5. Isospin-tracing: A probe of non-equilibrium in central heavy-ion collisions

    E-Print Network [OSTI]

    F. Rami; Y. Leifels; B. de Schauenburg; A. Gobbi; B. Hong; the FOPI Collaboration

    1999-11-09T23:59:59.000Z

    Four different combinations of $^{96}_{44}$Ru and $^{96}_{40}$Zr nuclei, both as projectile and target, were investigated at the same bombarding energy of 400$A$ MeV using a $4 \\pi$ detector. The degree of isospin mixing between projectile and target nucleons is mapped across a large portion of the phase space using two different isospin-tracer observables, the number of measured protons and the ${\\rm t}/^{3}{\\rm He}$ yield ratio. The experimental results show that the global equilibrium is not reached even in the most central collisions. Quantitative measures of stopping and mixing are extracted from the data. They are found to exhibit a quite strong sensitivity to the in-medium (n,n) cross section used in microscopic transport calculations.

  6. Preparation of Non-equilibrium Nuclear Spin States in Double Quantum Dots

    E-Print Network [OSTI]

    M. Gullans; J. J. Krich; J. M. Taylor; B. I. Halperin; M. D. Lukin

    2014-07-25T23:59:59.000Z

    We theoretically study the dynamic polarization of lattice nuclear spins in GaAs double quantum dots containing two electrons. In our prior work [Phys. Rev. Lett. 104, 226807 (2010)] we identified three regimes of long-term dynamics, including the build up of a large difference in the Overhauser fields across the dots, the saturation of the nuclear polarization process associated with formation of so-called "dark states," and the elimination of the difference field. In particular, when the dots are different sizes we found that the Overhauser field becomes larger in the smaller dot. Here we present a detailed theoretical analysis of these problems including a model of the polarization dynamics and the development of a new numerical method to efficiently simulate semiclassical central-spin problems. When nuclear spin noise is included, the results agree with our prior work indicating that large difference fields and dark states are stable configurations, while the elimination of the difference field is unstable; however, in the absence of noise we find all three steady states are achieved depending on parameters. These results are in good agreement with dynamic nuclear polarization experiments in double quantum dots.

  7. Formulation of a Model Accounting for Capillary Non-Equilibrium in Naturally Fractured Subsurface Formations

    E-Print Network [OSTI]

    Russell, Thomas F.

    , in the matrix. To #12;x ideas, consider a typical set of mass-conservation equations for a two-phase oil in Darcy's law usually being most important, followed by gravitational and capillary forces denote water and oil phases, respectively. Assuming that water is the wetting phase, the capillary

  8. Stochastic thermodynamics of fluctuating density fields: Non-equilibrium free energy differences under coarse-graining

    SciTech Connect (OSTI)

    Leonard, T.; Lander, B.; Seifert, U. [II. Institut für Theoretische Physik, Universität Stuttgart, Pfaffenwaldring 57, 70550 Stuttgart (Germany)] [II. Institut für Theoretische Physik, Universität Stuttgart, Pfaffenwaldring 57, 70550 Stuttgart (Germany); Speck, T. [Institut für Theoretische Physik II, Heinrich-Heine-Universität Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf (Germany)] [Institut für Theoretische Physik II, Heinrich-Heine-Universität Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf (Germany)

    2013-11-28T23:59:59.000Z

    We discuss the stochastic thermodynamics of systems that are described by a time-dependent density field, for example, simple liquids and colloidal suspensions. For a time-dependent change of external parameters, we show that the Jarzynski relation connecting work with the change of free energy holds if the time evolution of the density follows the Kawasaki-Dean equation. Specifically, we study the work distributions for the compression and expansion of a two-dimensional colloidal model suspension implementing a practical coarse-graining scheme of the microscopic particle positions. We demonstrate that even if coarse-grained dynamics and density functional do not match, the fluctuation relations for the work still hold albeit for a different, apparent, change of free energy.

  9. Risk Assessment and Monitoring of Stored CO2 in Organic Rocks Under Non-Equilibrium Conditions

    SciTech Connect (OSTI)

    Malhotra, Vivak

    2014-06-30T23:59:59.000Z

    The USA is embarking upon tackling the serious environmental challenges posed to the world by greenhouse gases, especially carbon dioxide (CO2). The dimension of the problem is daunting. In fact, according to the Energy Information Agency, nearly 6 billion metric tons of CO2 were produced in the USA in 2007 with coal-burning power plants contributing about 2 billion metric tons. To mitigate the concerns associated with CO2 emission, geological sequestration holds promise. Among the potential geological storage sites, unmineable coal seams and shale formations in particular show promise because of the probability of methane recovery while sequestering the CO2. However. the success of large-scale sequestration of CO2 in coal and shale would hinge on a thorough understanding of CO2's interactions with host reservoirs. An important parameter for successful storage of CO2 reservoirs would be whether the pressurized CO2 would remain invariant in coal and shale formations under reasonable internal and/or external perturbations. Recent research has brought to the fore the potential of induced seismicity, which may result in caprock compromise. Therefore, to evaluate the potential risks involved in sequestering CO2 in Illinois bituminous coal seams and shale, we studied: (i) the mechanical behavior of Murphysboro (Illinois) and Houchin Creek (Illinois) coals, (ii) thermodynamic behavior of Illinois bituminous coal at - 100oC ? T ? 300oC, (iii) how high pressure CO2 (up to 20.7 MPa) modifies the viscosity of the host, (iv) the rate of emission of CO2 from Illinois bituminous coal and shale cores if the cores, which were pressurized with high pressure (? 20.7 MPa) CO2, were exposed to an atmospheric pressure, simulating the development of leakage pathways, (v) whether there are any fractions of CO2 stored in these hosts which are resistance to emission by simply exposing the cores to atmospheric pressure, and (vi) how compressive shockwaves applied to the coal and shale cores, which were pressurized with high pressure CO2, determine the fate of sequestered CO2 in these cores. Our results suggested that Illinois bituminous coal in its unperturbed state, i.e., when not pressurized with CO2, showed large variations in the mechanical properties. Modulus varied from 0.7 GPa to 3.4 GPa even though samples were extracted from a single large chunk of coal. We did not observe any glass transition for Illinois bituminous coal at - 100oC ? T ? 300oC, however, when the coal was pressurized with CO2 at ambient ? P ? 20.7 MPa, the viscosity of the coal decreased and inversely scaled with the CO2 pressure. The decrease in viscosity as a function of pressure could pose CO2 injection problems for coal as lower viscosity would allow the solid coal to flow to plug the fractures, fissures, and cleats. Our experiments also showed a very small fraction of CO2 was absorbed in coal; and when CO2 pressurized coals were exposed to atmospheric conditions, the loss of CO2 from coals was massive. Half of the sequestered gas from the coal cores was lost in less than 20 minutes. Our shockwave experiments on Illinois bituminous coal, New Albany shale (Illinois), Devonian shale (Ohio), and Utica shale (Ohio) presented clear evidence that the significant emission of the sequestered CO2 from these formations cannot be discounted during seismic activity, especially if caprock is compromised. It is argued that additional shockwave studies, both compressive and transverse, would be required for successfully mapping the risks associated with sequestering high pressure CO2 in coal and shale formations.

  10. Hydrodynamic multi-phase model for simulation of laser-induced non-equilibrium phase transformations

    E-Print Network [OSTI]

    Zhigilei, Leonid V.

    atomistic simulations of the complete sequence of melting ­ liquid flow ­ resolidification are not practical-gas coexistence, as well as for explicit tracking of interfaces between the phases. The model accounts for both propagation of the liquid-crystal interface in recrystallization. Computational results are in a good

  11. A non-equilibrium model for fixed-bed multi-component adiabatic adsorption

    E-Print Network [OSTI]

    Harwell, Jeffrey Harry

    1979-01-01T23:59:59.000Z

    to enter the bed. Solutions along a z ~ constant char- acteristic are the history of the. volumn element of the bed located a s constant, This physical interpretat1on is a physical approximation of the real world where adsorber discontinuities... 1 3. 3. 2 3e3e3 3. 3. 4 3. 3. 5 Solution of the multi-component adiabatic adsorption equation, . ~ ~ ~ Fluid phase equations. Fixed-bed solid phase equations. , ~ Construction of the solution surface by stepwise integra- tion...

  12. Non-equilibrium fluctuations and mechanochemical couplings of a molecular motor

    E-Print Network [OSTI]

    A. W. C. Lau; D. Lacoste; K. Mallick

    2007-07-30T23:59:59.000Z

    We investigate theoretically the violations of Einstein and Onsager relations, and the efficiency for a single processive motor operating far from equilibrium using an extension of the two-state model introduced by Kafri {\\em et al.} [Biophys. J. {\\bf 86}, 3373 (2004)]. With the aid of the Fluctuation Theorem, we analyze the general features of these violations and this efficiency and link them to mechanochemical couplings of motors. In particular, an analysis of the experimental data of kinesin using our framework leads to interesting predictions that may serve as a guide for future experiments.

  13. Oblique and conical shock similarity laws for non-equilibrium flows

    E-Print Network [OSTI]

    Holster, Jesse Louis

    1968-01-01T23:59:59.000Z

    . IV. VI. INTRODUCTION REVIEN OF PREVIOUS WORK. OBl I'VE SHOCK VIBRATIONAL SIMILITUDE CHEilllCAL iNOZ -EQUILI BRIIVl EXTENSIOiN TO CONICAL FLON. RE1IARKS AND CONCLUSIONS. REFERENCES APPENDIX Page 12 22 31 37 39 LIST OF FIGUWHS Figure... Normal Shock Vibrational Similarity Param ter Normal Shock Dissociation Similarity Parameter Page 10 Oblique Shock Vibrational Similarity Law 19 Oblique Shock Dissociation Similarity Parameter Conical Shock Dissociation Similarity Parameter...

  14. Thermal non-equilibrium in dispersed flow film boiling in a vertical tube

    E-Print Network [OSTI]

    Forslund, Robert Paul

    1966-01-01T23:59:59.000Z

    The departure from thermal equilibrium between a dispersed liquid phase and its vapor at high quality during film boiling is investigated, The departure from equilibruim is manifested by the high resistance to heat transfer ...

  15. Boiling Crisis as a Non-Equilibrium Drying V. S. Nikolayev, D. A. Beysens, J. Hegseth

    E-Print Network [OSTI]

    Nikolayev, Vadim S.

    crisis is the formation of a vapor film between the heater and the liquid when the heat supply exceeds in the coordinates heat supply ­ heater temperature is sketched in Fig. 1 for the case of stationary boiling experiment, the so called "pool boiling". When the heat supply to the fluid pool is small, only a fluid

  16. CHF as a Non-Equilibrium Drying Transition V. S. Nikolayev

    E-Print Network [OSTI]

    Nikolayev, Vadim S.

    film between the heater and the liquid when the heat supply exceeds a critical value, the critical heat

  17. Effects of non-equilibrium plasma discharge on counterflow diffusion flame extinction

    E-Print Network [OSTI]

    Ju, Yiguang

    of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544, USA b U.S. Air Force and resulted in an increase of extinction strain rates through the coupling between thermal and kinetic effects produces heat, rad- icals, excited species, ions/electrons, and other intermediate species simultaneously

  18. Kinetic effects of non-equilibrium plasma-assisted methane oxidation on diffusion flame extinction limits

    E-Print Network [OSTI]

    Ju, Yiguang

    08544, USA b US Air Force Research Laboratory, Propulsion Directorate, Wright-Patterson AFB, OH 45433 plasma assisted combustion resulted in fast chemical heat release and extended the extinction limits processes in plasma­flame interactions [1­17]. However, plasma assisted combustion involves strong coupling

  19. Newton Institute Workshop NonEquilibrium Dynamics of Interacting Particle Systems

    E-Print Network [OSTI]

    Evans, Denis

    be derived from Gauss' Principle of Least Constraint (Evans, Hoover, Failor, Moran & Ladd (1983)). The formBT / 2( )-1[ ]/ 2 then , in an ergodic system the equilibrium distribution is canonical f() ~ exp[-H0;Thermostatted Response theory Assume system is canonical at t=0. f(,0) = exp[-H0()] d exp[-H0()] f(,t) = exp

  20. Lattice ellipsoidal statistical BGK model for thermal non-equilibrium flows

    E-Print Network [OSTI]

    Meng, Jianping

    A thermal lattice Boltzmann model is constructed on the basis of the ellipsoidal statistical Bhatnagar–Gross–Krook (ES-BGK) collision operator via the Hermite moment representation. The resulting lattice ES-BGK model uses ...

  1. Mixing from Fickian Diffusion and Natural Convection in Binary Non-Equilibrium Fluid

    E-Print Network [OSTI]

    Firoozabadi, Abbas

    of applications such as improved oil recovery and carbon sequestration. Gas injection into oil reservoirs has long: 1336­1345, 2012 Keywords: two-phase systems, mixing, carbon dioxide, density-driven flow, diffusion of the most important challenges of our time. Underground injection of carbon dioxide (CO2) in geological

  2. Study of Methane Reforming in Warm Non-Equilibrium Plasma Discharges

    E-Print Network [OSTI]

    Parimi, Sreekar

    2012-02-14T23:59:59.000Z

    , temperature and other variables determine efficiency of conversion. An efficient process is identified by a high yield and low specific energy of production for the desired product. A study of previous work reveals that higher energy density systems are more...

  3. Fe Atomic Data for Non-equilibrium Ionization Plasmas | SciTech Connect

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField8,Dist. Category UC-lFederalFYRANDOMFailure ModesflowFe Atomic Data for

  4. Temporal and Dose Kinetics of Tunnel Relaxation of Non-Equilibrium Near-Interfacial Charged Defects in Insulators

    E-Print Network [OSTI]

    Zebrev, Gennady I

    2015-01-01T23:59:59.000Z

    This paper is devoted mainly to mathematical aspects of modeling and simulation of tunnel relaxation of nonequilibrium charged oxide traps located at/near the interface insulator - conductive channel, for instance in irradiated MOS devices. The generic form of the tunnel annealing response function was derived from the rate equation for the charged defect buildup and annealing as a linear superposition of the responses of different defects with different time constants. Using this linear response function, a number of important practical problems are analyzed and discussed. Combined tunnel and thermal or RICN annealing, power-like temporal relaxation after a single ion strike into the gate oxide, are described in context of general approach.

  5. Materials Science and Engineering A 449451 (2007) 1217 Non-equilibrium solidification of concentrated FeGe alloys

    E-Print Network [OSTI]

    Srivastava, Kumar Vaibhav

    with the interface diffusive speed (VD) for diffusion-limited or speed of sound (Vs) for collision-limited growth phase change like peritectic reaction during liquid to solid transformation. The Fe-rich part of Fe-equilibrium conditions. The deviation of the chemical equilibrium at the solid­liquid interface and the kinetic

  6. Interpreting the drying kinetics of a soil using a macroscopic thermodynamic non-equilibrium of water between the liquid

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    by diffusion mechanisms within the material [1]. When modelling this second phase, the state variable chosen about liquid-gas phase change in porous media that suggest that the establishment of equilibrium, 9]. Vapour diffusion and liquid-vapour phase change are considered as the main phenomena

  7. Within-island differentiation and between-island homogeneity: non-equilibrium population structure in the seaweed

    E-Print Network [OSTI]

    in the seaweed Cladophoropsis membranacea (Chlorophyta) in the Canary Islands HAN J. VAN DER STRATE1, 2 , LOUIS stone model at larger spatial scales. In the present survey, 23 sites were sampled in the Canary Islands among the Canary Islands regardless of how geographic distances were computed. Only when the Canary

  8. Non-Equilibrium Vibrational Kinetics in Radiofrequency H2 Plasmas: a Comparison Between Theoretical and Experimental Results

    SciTech Connect (OSTI)

    Capitelli, M. [Department of Chemistry-University of Bari (Italy); IMIP CNR - Bari (Italy); De Pascale, O. [IMIP CNR - Bari (Italy); Shakatov, V. [Centro Laser s.r.l. - Valenzano (Italy); Hassouni, K.; Lombardi, G.; Gicquel, A. [LIMHP-CNRS Universite Paris Nord - Villetaneuse (France)

    2005-05-16T23:59:59.000Z

    Vibrational and rotational experimental temperatures of molecular hydrogen obtained by Coherent Anti-Stokes Spectroscopy (CARS) in Radiofrequency Inductive Plasmas have been analyzed and interpreted in terms of vibration, electron, dissociation-recombination and attachment kinetics. The analysis clarifies the role of atomic hydrogen and its heterogeneous recombination in affecting the vibrational content of the molecules.

  9. Indirect heating of Pt by non-equilibrium electrons in Au in a nanoscale Pt/Au bilayer

    E-Print Network [OSTI]

    Cahill, David G.

    -line equivalent-circuit. For optical exciation of either the Pt or Au side of the bilayer, the majority of energy excitations which are then driven out of thermal equilibrium with the vibrations of the atomic lattice.1

  10. Application of Semi-Grand Canonical Monte Carlo (SGMC) methods to describe non-equilibrium polymer systems

    E-Print Network [OSTI]

    Bernardin, Frederick E

    2007-01-01T23:59:59.000Z

    Understanding the structure of materials, and how this structure affects their properties, is an important step towards the understanding that is necessary in order to apply computational methods to the end of designing ...

  11. A parallel multistate framework for atomistic non-equilibrium reaction dynamics of solutes in strongly interacting organic solvents

    E-Print Network [OSTI]

    Glowacki, David R; Harvey, Jeremy N

    2014-01-01T23:59:59.000Z

    We describe a parallel linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM. Forces are obtained using the Hellman-Feynmann relationship, giving continuous gradients, and excellent energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to CCSD(T)-F12 electronic structure theory, we built a 64-state MS-EVB model designed to study the F + CD3CN -> DF + CD2CN reaction in CD3CN solvent. This approach allows us to build a reactive potential energy surface (PES) whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We use our PES to run MD simulations, and examine a range of transient observables which follow in the wake of reaction, including transient spectra of the DF vibrational band, time dependent profiles of vibrationally excited DF in CD3CN solvent, and relaxation rates for energy flow from DF into the solvent, all of which agree well with experime...

  12. Non-equilibrium deposition of phase pure Cu{sub 2}O thin films at reduced growth temperature

    SciTech Connect (OSTI)

    Subramaniyan, Archana, E-mail: asubrama@mymail.mines.edu [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Department of Metallurgical and Materials Engineering, Colorado School of Mines, Golden, Colorado 80401 (United States); Perkins, John D.; Lany, Stephan; Stevanovic, Vladan; Ginley, David S.; Zakutayev, Andriy [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); O’Hayre, Ryan P. [Department of Metallurgical and Materials Engineering, Colorado School of Mines, Golden, Colorado 80401 (United States)

    2014-02-01T23:59:59.000Z

    Cuprous oxide (Cu{sub 2}O) is actively studied as a prototypical material for energy conversion and electronic applications. Here we reduce the growth temperature of phase pure Cu{sub 2}O thin films to 300?°C by intentionally controlling solely the kinetic parameter (total chamber pressure, P{sub tot}) at fixed thermodynamic condition (0.25 mTorr pO{sub 2}). A strong non-monotonic effect of P{sub tot} on Cu-O phase formation is found using high-throughput combinatorial-pulsed laser deposition. This discovery creates new opportunities for the growth of Cu{sub 2}O devices with low thermal budget and illustrates the importance of kinetic effects for the synthesis of metastable materials with useful properties.

  13. Simulation of effect of interfacial lithium flux on miscibility gap in non-equilibrium phase transformation of LiFePO4 particles

    E-Print Network [OSTI]

    Liu, Fuqiang

    history: Received 14 May 2013 Received in revised form 12 June 2013 Accepted 13 June 2013 Available online technological applications such as automobiles and portable electronics. To achieve a real breakthrough

  14. The behavior of matter under non-equilibrium conditions: Fundamental aspects and applications. Progress report, July 15, 1991--July 14, 1992

    SciTech Connect (OSTI)

    Prigogine, I.

    1992-04-01T23:59:59.000Z

    This report briefly discusses concepts of chaotic systems. The topics discusses are: Bernoulli maps; mathematical aspects of the complex spectral representations; and large poincare systems. (LSP)

  15. Evaluation of technical feasibility of closed-cycle non-equilibrium MHD power generation with direct coal firing. Final report, Task I

    SciTech Connect (OSTI)

    Not Available

    1981-11-01T23:59:59.000Z

    Program accomplishments in a continuing effort to demonstrate the feasibility of direct coal-fired, closed-cycle MHD power generation are reported. This volume contains the following appendices: (A) user's manual for 2-dimensional MHD generator code (2DEM); (B) performance estimates for a nominal 30 MW argon segmented heater; (C) the feedwater cooled Brayton cycle; (D) application of CCMHD in an industrial cogeneration environment; (E) preliminary design for shell and tube primary heat exchanger; and (F) plant efficiency as a function of output power for open and closed cycle MHD power plants. (WHK)

  16. J. fhys. D:Appl. fhys. 28 (1995)1903-1918.Printed in he UK 1 Non-equilibrium coupled kinetics in

    E-Print Network [OSTI]

    Guerra, Vasco

    equation coupled to the rate balance equationsfor the vibrationally excited molecules N2(X 'E;, v) and 02(X are studied with the purpose of material treatments or in order to test coating materials for space vehicles

  17. Non-Equilibrium Beta Processes in Neutron Stars: A Relationship between the Net Reaction Rate and the Total Emissivity of Neutrinos

    E-Print Network [OSTI]

    Sergio Flores-Tulian; Andreas Reisenegger

    2006-07-25T23:59:59.000Z

    Several different processes could be changing the density in the core of a neutron star, leading to a departure from $\\beta$ equilibrium, quantified by the chemical potential difference $\\delta\\mu\\equiv\\mu_n-\\mu_p-\\mu_e$. The evolution of this quantity is coupled to that of the star's interior temperature $T$ by two functions that quantify the rate at which neutrino-emitting reactions proceed: the net reaction rate (difference between $\\beta$ decay and capture rates), $\\Gamma_{\\rm net}(T,\\delta\\mu)$, and the total emissivity (total energy emission rate in the form of neutrinos and antineutrinos), $\\epsilon_{\\rm tot}(T,\\delta\\mu)$. Here, we present a simple and general relationship between these variables, ${\\partial\\epsilon_{\\rm tot}/\\partial\\delta\\mu=3\\Gamma_{\\rm net}}$, and show that it holds even in the case of superfluid nucleons. This relation may simplify the numerical calculation of these quantities, including superfluid reduction factors.

  18. Non-equilibrium vibrational and electron energy distributions functions in atmospheric nitrogen ns pulsed discharges and \\mus post-discharges: the role of electron molecule vibrational excitation scaling-laws

    E-Print Network [OSTI]

    Colonna, Gianpiero; Celiberto, Roberto; Capitelli, Mario; Tennyson, Jonathan

    2015-01-01T23:59:59.000Z

    The formation of the electron energy distribution function in nanosecond atmospheric nitrogen discharges is investigated by means of self-consistent solution of the chemical kinetics and the Boltzmann equation for free electrons. The post-discharge phase is followed to few microseconds. The model is formulated in order to investigate the role of the cross section set, focusing on the vibrational-excitation by electron-impact through resonant channel. Four different cross section sets are considered, one based on internally consistent vibrational-excitation calculations which extend to the whole vibrational ladder, and the others obtained by applying commonly used scaling-laws.

  19. Thermal Trap for DNA Replication Christof B. Mast and Dieter Braun*

    E-Print Network [OSTI]

    Kersting, Roland

    and simultaneously accumulates the replicated molecules in an efficient thermophoretic trap. The non- equilibrium

  20. Advanced phase modulation techniques for stimulated brillouin scattering suppression in fiber optic parametric amplifiers

    E-Print Network [OSTI]

    Coles, James

    2009-01-01T23:59:59.000Z

    s-1. —Measurement Results Integ Pwr: -Markers B 190.3398 THzMeasurement Results Integ Pwr: 0.375 dBrn MeanWL: 1575.03832

  1. Quantum Statistical Mechanics. III. Equilibrium Probability

    E-Print Network [OSTI]

    Phil Attard

    2014-04-10T23:59:59.000Z

    Given are a first principles derivation and formulation of the probabilistic concepts that underly equilibrium quantum statistical mechanics. The transition to non-equilibrium probability is traversed briefly.

  2. Marius Stan | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Dr. Marius Stan is a physicist and a chemist interested in non-equilibrium thermodynamics, heterogeneity, and multi-scale computational science for energy applications. He...

  3. adaptive simulated annealing: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    problems was applied to the synthesis of a non-equilibrium reactive distillation column. A simulation model based on an extension of conventional distillation is proposed for...

  4. Generalized dual-phase lag bioheat equations based on nonequilibrium heat transfer in living biological tissues

    E-Print Network [OSTI]

    Zhang, Yuwen

    transfer Non-equilibrium Dual-phase lag a b s t r a c t Based on a nonequilibrium heat transfer model

  5. Scale-dependent desorption of uranium from contaminated subsurface...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    that affected the breakthrough curves of bromide, pentafluorobenzoic acid (PFBA), and tritium. The tritium breakthrough curve showed stronger non-equilibrium behavior than did...

  6. The driven overdamped mean field model Non-eq. free energies for the mean field model

    E-Print Network [OSTI]

    Dauxois, Thierry

    The driven overdamped mean field model Non-eq. free energies for the mean field model Large deviations for turbulent flows Non-Equilibrium Free Energies for Particle Systems and Turbulent Flows F Treilles. F. Bouchet ENSL-CNRS Non-Equilibrium Free Energies #12;The driven overdamped mean field model Non

  7. Diffusion model of evolution of superthermal high-energy particles under scaling in the early Universe

    E-Print Network [OSTI]

    Ignatyev, Yu G

    2011-01-01T23:59:59.000Z

    The evolution of a superthermal relic component of matter is studied on the basis of non-equilibrium model of Universe and the Fokker-Planck type kinetic equation offered by one of the authors.

  8. Tunable spatial heterogeneity in structure and composition within aqueous microfluidic droplets

    E-Print Network [OSTI]

    Hui, Sophia Lee Su

    In this paper, we demonstrate biphasic microfluidic droplets with broadly tunable internal structures, from simple near-equilibrium drop-in-drop morphologies to complex yet uniform non-equilibrium steady-state structures. ...

  9. Nonequilibrium Thermodynamics of Porous Electrodes

    E-Print Network [OSTI]

    Ferguson, Todd Richard

    We reformulate and extend porous electrode theory for non-ideal active materials, including those capable of phase transformations. Using principles of non-equilibrium thermodynamics, we relate the cell voltage, ionic ...

  10. Thermodynamics with 3 Spins

    E-Print Network [OSTI]

    Eward May; Jack L. Uretsky

    2011-06-14T23:59:59.000Z

    Glauber dynamics, applied to the one-dimensional Ising model, provides a tractable model for the study of non-equilibrium, many-body processes driven by a heat bath

  11. Journal of Fluid Mechanics http://journals.cambridge.org/FLM

    E-Print Network [OSTI]

    Martín, Pino

    . Introduction Strong bow and leading-edge shock waves, and large kinetic energy dissipation on hypersonic molecules, hence variable heat capacities and thermal and chemical non-equilibrium. As a result, significant

  12. FROM DYNAMIC TO STATIC LARGE DEVIATIONS IN BOUNDARY DRIVEN EXCLUSION PARTICLE SYSTEMS

    E-Print Network [OSTI]

    developments on the non­equilibrium stationary measures by Derrida, Lebowitz and Speer [4] and the more closely, Derrida, Lebowitz and Speer [4] obtained the explicit form of the rate function for the large deviation

  13. A general proof of Landauer-Büttiker formula

    E-Print Network [OSTI]

    G. Nenciu

    2006-04-09T23:59:59.000Z

    We point out a general argument leading from the formula for currents through an open mesoscopic system given by the theory of non-equilibrium steady states (NESS) to the Landauer-B\\"uttiker formula.

  14. J. Phys. D: Appl. Phys., Vol. 7, 1974. Printed in Great Britain. 01974 Electron multiplicationin a gas discharge

    E-Print Network [OSTI]

    Friedland, Lazar

    with large space gradients. More recently, experimental data (Haydon and Stock 1966, Folkard and Haydon 1971 the pressure of the gas and xoa distance introduced to take into account the non-equilibrium effects at small

  15. Using species distribution models to inform IUCN Red List assessments

    E-Print Network [OSTI]

    Syfert, Mindy M.; Joppa, Lucas; Smith, Matthew J.; Coomes, David A.; Bachman, Steven P.; Brummitt, Neil A.

    2014-07-26T23:59:59.000Z

    .g. hurricanes) or anthropogenic effects (e.g. deforestation) not included in the model fitting process (Elith and Leathwick 2009). Additionally, the SDM approach we have taken here does not explicitly take into account non-equilibrium species dynamics. While...

  16. Cross Sections: Key for Modeling Vasili Kharchenko

    E-Print Network [OSTI]

    Johnson, Robert E.

    and ... Students and Postdocs: Stefano Bovino, Nick Lewkow, and Marko Gacesa #12;Collisions of Atmospheric Atoms/and Monte Carlo simulations · Calculations of non-equilibrium rates of atmospheric reactions. #12;Simple

  17. On Statistical Field Theory T-Life Research Center, Fudan University, Shanghai 200433, China

    E-Print Network [OSTI]

    Hao, Bailin

    . The phenomenological theory of superconductivity, obtained from the equilibrium condition F i = 0 was so good as to include the theory of the type II superconductors. Now we want to extend it to non-equilibrium situation

  18. Politecnico of Turin Master Thesis

    E-Print Network [OSTI]

    Kjelstrup, Signe

    , especially in oil related processes. Distillation, carbon dioxide capture, and enhanced oil recovery are just, the model is extended to non equilibrium: the validity of the Gibbs relation and of the assumption of local

  19. Non-local thermodynamic equilibrium effects on isentropic coefficient in argon and helium thermal plasmas

    SciTech Connect (OSTI)

    Sharma, Rohit [Satyam Institute of Engineering and Technology, Amritsar 143107 (India)] [Satyam Institute of Engineering and Technology, Amritsar 143107 (India); Singh, Kuldip [Department of Physics, Guru Nanak Dev University, Amritsar 143005 (India)] [Department of Physics, Guru Nanak Dev University, Amritsar 143005 (India)

    2014-03-15T23:59:59.000Z

    In the present work, two cases of thermal plasma have been considered; the ground state plasma in which all the atoms and ions are assumed to be in the ground state and the excited state plasma in which atoms and ions are distributed over various possible excited states. The variation of Z?, frozen isentropic coefficient and the isentropic coefficient with degree of ionization and non-equilibrium parameter ?(= T{sub e}/T{sub h}) has been investigated for the ground and excited state helium and argon plasmas at pressures 1?atm, 10?atm, and 100?atm in the temperature range from 6000?K to 60?000?K. For a given value of non-equilibrium parameter, the relationship of Z? with degree of ionization does not show any dependence on electronically excited states in helium plasma whereas in case of argon plasma this dependence is not appreciable till degree of ionization approaches 2. The minima of frozen isentropic coefficient shifts toward lower temperature with increase of non-equilibrium parameter for both the helium and argon plasmas. The lowering of non-equilibrium parameter decreases the frozen isentropic coefficient more emphatically in helium plasma at high pressures in comparison to argon plasma. The increase of pressure slightly reduces the ionization range over which isentropic coefficient almost remains constant and it does not affect appreciably the dependence of isentropic coefficient on non-equilibrium parameter.

  20. Genetics in the courts

    SciTech Connect (OSTI)

    Coyle, Heather; Drell, Dan

    2000-12-01T23:59:59.000Z

    Various: (1)TriState 2000 Genetics in the Courts (2) Growing impact of the new genetics on the courts (3)Human testing (4) Legal analysis - in re G.C. (5) Legal analysis - GM ''peanots'', and (6) Legal analysis for State vs Miller

  1. The mechano-chemistry of cytoskeletal force generation

    E-Print Network [OSTI]

    Mirko Maraldi; Krishna Garikipati

    2014-04-23T23:59:59.000Z

    In this communication, we propose a model to study the non-equilibrium process by which actin stress fibers develop force in contractile cells. The emphasis here is on the non-equilibrium thermodynamics, which is necessary to address the mechanics as well as the chemistry of dynamic cell contractility. In this setting we are able to develop a framework that relates (a) the dynamics of force generation within the cell and (b) the cell response to external stimuli to the chemical processes occurring within the cell, as well as to the mechanics of linkage between the stress fibers, focal adhesions and extra-cellular matrix.

  2. Non-Markovian effects in electronic and spin transport

    E-Print Network [OSTI]

    Pedro Ribeiro; Vitor R. Vieira

    2014-12-29T23:59:59.000Z

    We derive a non-Markovian master equation for the evolution of a class of open quantum systems consisting of quadratic fermionic models coupled to wide-band reservoirs. This is done by providing an explicit correspondence between master equations and non-equilibrium Green's functions approaches. Our findings permit to study non-Markovian regimes characterized by negative decoherence rates. We study the real-time dynamics and the steady-state solution of two illustrative models: a tight-binding and an XY-spin chains. The rich set of phases encountered for the non-equilibrium XY model extends previous studies to the non-Markovian regime.

  3. Bulk viscosity in a plasma of confining gluons

    E-Print Network [OSTI]

    Wojciech Florkowski; Radoslaw Ryblewski; Nan Su; Konrad Tywoniuk

    2015-04-13T23:59:59.000Z

    We investigate dynamic properties of a plasma whose constituents are confining gluons resulting from the Gribov quantization. In a static formulation, this system reproduces qualitatively the pure-glue equation of state and thereby encodes crucial features of the phase transition. The dynamic description proposed in this work allows us to study non-equilibrium transport phenomena with the inclusion of confinement effects. In particular, we determine the non-equilibrium behaviour of the interaction measure (trace anomaly) and find the form of the bulk viscosity coefficient. The latter may be used in phenomenological applications to heavy-ion collisions.

  4. Bulk viscosity in a plasma of confining gluons

    E-Print Network [OSTI]

    Florkowski, Wojciech; Su, Nan; Tywoniuk, Konrad

    2015-01-01T23:59:59.000Z

    We investigate dynamic properties of a plasma whose constituents are confining gluons resulting from the Gribov quantization. In a static formulation, this system reproduces qualitatively the pure-glue equation of state and thereby encodes crucial features of the phase transition. The dynamic description proposed in this work allows us to study non-equilibrium transport phenomena with the inclusion of confinement effects. In particular, we determine the non-equilibrium behaviour of the interaction measure (trace anomaly) and find the form of the bulk viscosity coefficient. The latter may be used in phenomenological applications to heavy-ion collisions.

  5. AER1301: KINETIC THEORY OF GASES Assignment #4

    E-Print Network [OSTI]

    Groth, Clinton P. T.

    AER1301: KINETIC THEORY OF GASES Assignment #4 1. Consider a monatomic gas with one translational by the relaxation time approx- imation. Neglecting external forces, the conserved form of the kinetic equation function, in both the equilibrium and non- equilibrium cases, up to second order. (b) Derive an expression

  6. Strong field physics in condensed matter

    E-Print Network [OSTI]

    Oka, Takashi

    2011-01-01T23:59:59.000Z

    There are deep similarities between non-linear QFT studied in high-energy and non-equilibrium physics in condensed matter. Ideas such as the Schwinger mechanism and the Volkov state are deeply related to non-linear transport and photovoltaic Hall effect in condensed matter. Here, we give a review on these relations.

  7. Strong field physics in condensed matter

    E-Print Network [OSTI]

    Takashi Oka

    2011-02-12T23:59:59.000Z

    There are deep similarities between non-linear QFT studied in high-energy and non-equilibrium physics in condensed matter. Ideas such as the Schwinger mechanism and the Volkov state are deeply related to non-linear transport and photovoltaic Hall effect in condensed matter. Here, we give a review on these relations.

  8. Fast Track Communication Efficiency and large deviations in time-asymmetric

    E-Print Network [OSTI]

    Geissler, Phillip

    -state engine. We find in general that the form of efficiency probability distributions is similar to those systems, molecular motors, large deviations in non-equilibrium systems 1. Introduction As engineeringFast Track Communication Efficiency and large deviations in time-asymmetric stochastic heat engines

  9. The Eighth Liquid Matter Conference This article has been downloaded from IOPscience. Please scroll down to see the full text article.

    E-Print Network [OSTI]

    Dellago, Christoph

    interdisciplinary topics, ranging from simple liquids to soft matter and biophysical systems. The vast spectrum · Confined fluids, interfacial phenomena · Supercooled liquids, glasses, gels · Non-equilibrium systems science, as discussed at the conference, and demonstrate the scientific as well as methodological progress

  10. SYMPOSIUM ON: THE SECOND LAW OF THERMODYNAMICS: STATUS AND CHALLENGES

    E-Print Network [OSTI]

    Kostic, Milivoje M.

    -mail: kostic@niu.edu Abstract. Sadi Carnot's ingenious reasoning of reversible cycles (1824) laid foundations they are comprehended and understood. Key Words: Sadi Carnot, Heat engine, Non-equilibrium, Reversibility, Work: From Sadi Carnot's Ingenious Reasoning to Holistic Generalization Milivoje M. Kostic DEPARTMENT

  11. Transport of sorbing solutes in randomly heterogeneous formations: Spatial moments, macrodispersion, and parameter uncertainty

    SciTech Connect (OSTI)

    Andricevic, R.

    1993-06-01T23:59:59.000Z

    Expressions for the spatial moments and macrodispersion tensor for sorbing solutes in heterogeneous formations were presented using a probabilistic model of a fluid residence time coupled with the particle position analysis. The fluid residence time was defined as a fraction of the actual time during which the particle stayed in the mobile fluid phase of the aquifer. The fluid residence time is a random variable whose variability comes as a result of the non-equilibrium sorption properties. The sorbing solute was assumed to be governed with first-order linear kinetics. The closed-form expressions were based on the stationarity in the kinetic process and on the first-order approximation in the hydraulic conductivity field and in the fluid residence time. The non-equilibrium effects were presented as a function of the spatial variability in hydraulic conductivity and temporal variability in the fluid residence time. The importance of the non-equilibrium processes in the field scale was found to be dependent on reaction rates, retardation factor, mean velocity, and on variance and correlation scale of the hydraulic conductivity. The time needed to reach the asymptotic macrodispersivity is dependent on the degree of non-equilibrium processes and distribution coefficient. The impact from the uncertainty in parameters upon the spatial moments was examined and compared with the organic tracer used in the Borden field experiment.

  12. Conservation-dissipation formalism of irreversible thermodynamics

    E-Print Network [OSTI]

    Yi Zhu; Liu Hong; Zaibao Yang; Wen-An Yong

    2014-07-21T23:59:59.000Z

    We propose a conservation-dissipation formalism (CDF) for coarse-grained descriptions of irreversible processes. This formalism is based on a stability criterion for non-equilibrium thermodynamics. The criterion ensures that non-equilibrium states tend to equilibrium in long time. As a systematic methodology, CDF provides a feasible procedure in choosing non-equilibrium state variables and determining their evolution equations. The equations derived in CDF have a unified elegant form. They are globally hyperbolic, allow a convenient definition of weak solutions, and are amenable to existing numerics. More importantly, CDF is a genuinely nonlinear formalism and works for systems far away from equilibrium. With this formalism, we formulate novel thermodynamics theories for heat conduction in rigid bodies and non-isothermal compressible Maxwell fluid flows as two typical examples. In these examples, the non-equilibrium variables are exactly the conjugate variables of the heat fluxes or stress tensors. The new theory generalizes Cattaneo's law or Maxwell's law in a regularized and nonlinear fashion.

  13. OPTIMAL CONTROL OF SYSTEMS OF CONSERVATION LAWS AND APPLICATION

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    OPTIMAL CONTROL OF SYSTEMS OF CONSERVATION LAWS AND APPLICATION TO NON-EQUILIBRIUM TRAFFIC STEERING iteratively optimal control problems involving systems of conservation laws. The irregularity of discontinuous waves in computing an optimal (or suboptimal) control for systems of conservation laws

  14. The beta-Hermite and beta-Laguerre processes

    E-Print Network [OSTI]

    Luen-Chau Li

    2010-07-22T23:59:59.000Z

    In this work, we introduce matrix-valued diffusion processes which describe the non-equilibrium situation of the matrix models for the beta-Hermite and the beta-Laguerre ensembles. We also study the corresponding spectral measure process and empirical/singular value process with regard to their limit laws.

  15. Pulsating Heat Pipes: Thermo-fluidic Characteristics and Comparative Study with Single Phase Thermosyphon

    E-Print Network [OSTI]

    Khandekar, Sameer

    Pulsating Heat Pipes: Thermo-fluidic Characteristics and Comparative Study with Single Phase of the PHP operation. The fundamental thermo-fluidic processes occurring in the device operation gradients is to cause non-equilibrium pressure conditions, which is the primary driving force for thermo

  16. electronic reprint Synchrotron

    E-Print Network [OSTI]

    Coppens, Philip

    . Synchrotron radiation plays a leading role in pure science and in emerging technologies. The Journal Non-Equilibrium Dynamics Project, ERATO, Japan Science and Technology Agency, 1-1 Oho, Tsukuba, Ibaraki 305-0801, Japan, d Department of Materials Science, Tokyo Institute of Technology, 2-12-1-H61

  17. JOURNAL DE PHYSIQUE Colloque C7, supplbment au n012, Tome 48, decembre 1987

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    from the substrate e) Ceramic coating laser melting, sealing of ceramic coatings f) Amorphous layers of the whole component which could cause Fig. 1: Selective laser hardening of a press tool. This laser refinement and tendency to form non equilibrium phases. In laser surface melting the surface is simply melted

  18. Please cite this article in press as: Hallegatte, S. et al., Business cycles, bifurcations and chaos in a neo-classical model with investment dynamics, Journal of Economic Behavior and Organization (2007), doi:10.1016/j.jebo.2007.05.001

    E-Print Network [OSTI]

    Ghil, Michael

    B.V. All rights reserved. Keywords: Macroeconomic dynamics; Non-equilibrium modeling; BusinessPlease cite this article in press as: Hallegatte, S. et al., Business cycles, bifurcations and chaos in a neo-classical model with investment dynamics, Journal of Economic Behavior and Organization

  19. Thermodynamics for single-molecule stretching experiments

    E-Print Network [OSTI]

    Kjelstrup, Signe

    Thermodynamics for single-molecule stretching experiments J.M. Rubi,a D. Bedeauxb and S. Kjelstrupb, Trondheim, 7491-Norway May 3, 2006 Abstract We show how to construct non-equilibrium thermodynamics for systems too small to be considered thermodynamically in a traditional sense. Through the use of a non

  20. Water transport inside a single-walled carbon nanotube driven by temperature gradient

    E-Print Network [OSTI]

    Maruyama, Shigeo

    Water transport inside a single-walled carbon nanotube driven by temperature gradient J. Shiomi mass transport of a water cluster inside a single-walled carbon nanotube (SWNT) with the diameter of about 1.4 nm. The influence of the non-equilibrium thermal environment on the confined water cluster has

  1. Plasma-Enhanced Combustion of Hydrocarbon Fuels and Fuel Blends Using Nanosecond Pulsed Discharges

    SciTech Connect (OSTI)

    Cappelli, Mark; Mungal, M Godfrey

    2014-10-28T23:59:59.000Z

    This project had as its goals the study of fundamental physical and chemical processes relevant to the sustained premixed and non-premixed jet ignition/combustion of low grade fuels or fuels under adverse flow conditions using non-equilibrium pulsed nanosecond discharges.

  2. Glow Discharge Enhanced Chemical Reaction: Application in Ammonia Synthesis and Hydrocarbon Gas Cleanup

    E-Print Network [OSTI]

    Ming, Pingjia

    2014-06-05T23:59:59.000Z

    hydrocarbons mixture such as EPE (74.8% methane, 8% ethane, 8% ethylene, 2.1% propane and 1.1% Propene). Non-thermal plasmas, due to their unique non-equilibrium characteristics, offer advantages as method of reforming at lower temperature (100-150 º...

  3. Modelling dynamics of samples exposed to free-electron-laser radiation with Boltzmann equations

    E-Print Network [OSTI]

    Beata Ziaja; Antonio R. B. de Castro; Edgar Weckert; Thomas Moeller

    2005-12-20T23:59:59.000Z

    We apply Boltzmann equations for modelling the radiation damage in samples irradiated by photons from free electron laser (FEL). We test this method in a study case of a spherically symmetric xenon cluster irradiated with VUV FEL photons. The results obtained demonstrate the potential of the Boltzmann method for describing the complex and non-equilibrium dynamics of samples exposed to FEL radiation.

  4. Issues in the statistical mechanics of steady sedimentation Sriram Ramaswamy*

    E-Print Network [OSTI]

    Ramaswamy, Sriram

    is that of a practitioner of non-equilibrium statistical physics rather than classical ¯ uid mechanics. Contents page 1 and simulations in brief 303 2.1.3. Theoretical approaches: a summary 304 2.2. Sedimenting crystalline suspensions common history, beginning with the classic theoretical [1± 4] and experimental [5] studies of Brownian

  5. 2006 Nature Publishing Group Controlled multiple reversals of a ratchet effect

    E-Print Network [OSTI]

    Moshchalkov, Victor V.

    © 2006 Nature Publishing Group Controlled multiple reversals of a ratchet effect Cle´cio C. de confined in an asymmetric potential demon- strates an anticipated ratchet effect by drifting along the `easy' ratchet direction when subjected to non-equilibrium fluctu- ations1­3 . This well-known effect

  6. Free energy inference from partial work measurements Fluctuation Relations (FRs) are among the few general exact results

    E-Print Network [OSTI]

    Potsdam, Universität

    Free energy inference from partial work measurements Fluctuation Relations (FRs) are among the few application is free energy recovery from non-equilibrium pulling experiments in the single molecule field. We is a "partial" work measurement): it leads to a violation of FRs and to wrong free energy estimates

  7. A light scattering study of colloid-polymer mixtures 

    E-Print Network [OSTI]

    Pirie, Angus D

    A detailed light scattering study of non-equilibrium states found in a model colloid-polymer mixture is presented. Conventional light scattering is used to examine the average structure of the phase, over a wide range of wavevectors. For all non...

  8. Plasmachemical Synthesis of Carbon Suboxide

    E-Print Network [OSTI]

    Geiger, Robert

    2012-12-11T23:59:59.000Z

    generated by thermonuclear fusion reactions resulting in a giant plasma ball. The sun is an example of a thermal plasma and is considered to be in equilibrium however it is also possible to have cold or non-equilibrium plasmas. A thermal plasma can have...

  9. Heat transfer in soft nanoscale interfaces: the influence of interface curvature

    E-Print Network [OSTI]

    Kjelstrup, Signe

    Heat transfer in soft nanoscale interfaces: the influence of interface curvature Anders Lervik transient non-equilibrium molecular-dynamics simulations, heat-transfer through nanometer-scale interfaces processes. We show that the modeling of heat transfer across a nanodroplet/fluid interface requires

  10. JOURNAL DE PHYSIQUE CoZZaque C7, suppZ6ment au n07, Tome 40, JuiZZet 1979, page C7-473 SOME PARTlCULARlWS OT THE MOLECULAR EXCHANGEIN A t-FLOW PRESSUREDISCHARGE

    E-Print Network [OSTI]

    Boyer, Edmond

    compounds and donor-acceptor complexes in the non-equilibrium plasma of a HF discharge to form a GaN film, and GaN molecu- les are transported to the single-crys- talline surface and are deposited partial pressure and on the total pressure of the gaseous mixture means that the process of GaN film

  11. Model-based Diagnostics for Propellant Loading Systems Matthew Daigle

    E-Print Network [OSTI]

    Daigle, Matthew

    -depth analysis and understanding of the underlying physi- cal processes, offer the advanced capability to quickly such as highly non- equilibrium condensation and evaporation of the hydrogen vapor, pressurization, and also the dynamics of liquid hydro- gen and vapor flows inside the system in the presence of he- lium gas. Since

  12. IOP PUBLISHING JOURNAL OF PHYSICS A: MATHEMATICAL AND THEORETICAL J. Phys. A: Math. Theor. 40 (2007) 1320913215 doi:10.1088/1751-8113/40/44/002

    E-Print Network [OSTI]

    Ott, Albrecht

    2007-01-01T23:59:59.000Z

    of the dynamical equation for the one-particle density of this model is shown to be equivalent to the exact Euler of situations [10, 11], including non-equilibrium sedimentation of hard spheres under gravity, where excellent microscopy of colloidal dispersions was found [12]. Nevertheless the DDFT is approximative [13, 14

  13. A Steam Quality Comparison between Nanoshell-Mediated Solar Heating and Conventional Electrical Heating

    E-Print Network [OSTI]

    GP-B-13 A Steam Quality Comparison between Nanoshell-Mediated Solar Heating in the Halas Group has led to the development of a novel, solar- based steam generation method using broadband. This a dramatic and highly non-equilibrium process. As such, investigating the properties of this steam

  14. This journal is c the Owner Societies 2011 Phys. Chem. Chem. Phys., 2011, 13, 421427 421 On the electron-induced isotope fractionation in low temperature

    E-Print Network [OSTI]

    Kaiser, Ralf I.

    . Sivaraman,a A. M. Mebel,b N. J. Mason,*a D. Babikovc and R. I. Kaiser*de Received 4th May 2010, Accepted 26 and isotopologues involving non-thermal, non-equilibrium chemistry by irradiation of oxygen ices with high energy measured oxygen isotopes in the solar wind and from comet Wild 2 by collecting (and returning) `dust

  15. Genome-wide conserved consensus transcription factor binding motifs are hyper-methylated

    E-Print Network [OSTI]

    Choy, Mun-Kit; Movassagh, Mehregan; Goh, Hock-Guan; Bennett, Martin; Down, Thomas A; Foo, Roger S-Y

    2010-09-27T23:59:59.000Z

    1, SPZ1, SREBP, SRF, STAT, TAL1-E47, TCF, TGIF, USF, XBP1, YY1, ZIC, ZID - Hypo-methylated CETS1P54, E2F, E4BP4, EGR, ELK1, MAZR, NFY, NRF1, SRY CHX10, FOX, FREAC, LHX3, MEF2, POU, RSRFC4, S8, HFH, SOX, SP1, TATA, TBP Neutral BRN2, CREL, HLF, IRF... Lysis Buffer containing 80 ?g/ml RNaseA, using a hand-held homogenizer (Polytron, Switzerland), and thereafter digested with 1 mg/ml Proteinase K (Roche Diagnostics, Burgess Hill, UK) overnight. Fully digested samples were centrifuged at 5000 ?g for 10...

  16. The Effect of Disorder in Superfluid Double Layer Graphene

    E-Print Network [OSTI]

    Brian Dellabetta; Matthew J. Gilbert

    2011-04-12T23:59:59.000Z

    We investigate the superfluid properties of disordered double layer graphene systems using the non-equilibrium Green's function (NEGF) formalism. The complexity of such a structure makes it imperative to study the effects of lattice vacancies which will inevitably arise during fabrication. We present and compare room temperature performance characteristics for both ideal and disordered bilayer graphene systems in an effort to illustrate the behavior of a Bose-Einstein Condensate in the presence of lattice defects under non-equilibrium conditions. We find that lattice vacancies spread throughout the top layer past the coherence length have a reduced effect compared to the ideal case. However, vacancies concentrated near the metal contacts within the coherence length significantly alter the interlayer superfluid transport properties.

  17. Exciton-phonon information flow in the energy transfer process of photosynthetic complexes

    E-Print Network [OSTI]

    Rebentrost, Patrick

    2010-01-01T23:59:59.000Z

    Non-Markovian and non-equilibrium phonon effects are believed to be key ingredients in the energy transfer in photosynthetic complexes, especially in complexes which exhibit a regime of intermediate exciton-phonon coupling. In this work, we harness a recently developed measure for non-Markovianity to elucidate the information flow between electronic and vibrational degrees of freedom. We study the measure in the hierarchical equation of motion approach which captures strong system-bath coupling effects and non-equilibrium molecular reorganization. We find that, for a model dimer system and the Fenna-Matthews-Olson complex, non-Markovianity is significant under realistic physiological conditions. A first step towards experimental quantification is provided by the study of four-wave mixing initial states.

  18. Formation of Compact Stellar Clusters by High-Redshift Galaxy Outflows I: Nonequillibrium Coolant Formation

    E-Print Network [OSTI]

    Gray, William J

    2010-01-01T23:59:59.000Z

    We use high-resolution three-dimensional adaptive mesh refinement simulations to investigate the interaction of high-redshift galaxy outflows with low-mass virialized clouds of primordial composition. While atomic cooling allows star formation in objects with virial temperatures above $10^4$ K, "minihaloes" below this threshold are generally unable to form stars by themselves. However, these objects are highly susceptible to triggered star formation, induced by outflows from neighboring high-redshift starburst galaxies. Here we conduct a study of these interactions, focusing on cooling through non-equilibrium molecular hydrogen (H$_2$) and hydrogen deuteride (HD) formation. Tracking the non-equilibrium chemistry and cooling of 14 species and including the presence of a dissociating background, we show that shock interactions can transform minihaloes into extremely compact clusters of coeval stars. Furthermore, these clusters are all less than $\\approx 10^6 M_\\odot,$ and they are ejected from their parent dark...

  19. Fluctuations of internal energy flow in a vibrated granular gas

    E-Print Network [OSTI]

    A. Puglisi; P. Visco; A. Barrat; E. Trizac; F. van Wijland

    2005-09-05T23:59:59.000Z

    The non-equilibrium fluctuations of power flux in a fluidized granular media have been recently measured in an experiment [Phys. Rev. Lett. 92, 164301, 2004], which was announced to be a verification of the Fluctuation Relation (FR) by Gallavotti and Cohen. An effective temperature was also identified and proposed to be a useful probe for such non equilibrium systems. We explain these results in terms of a two temperature Poisson process. Within this model, supported by independent Molecular Dynamics simulations, power flux fluctuations do not satisfy the FR and the nature of the effective temperature is clarified. In the pursue of a hypothetical global quantity fulfilling the FR, this points to the need of considering other candidates than the power flux.

  20. Charge separation in organic photovoltaic cells

    E-Print Network [OSTI]

    Giazitzidis, Paraskevas; Bisquert, Juan; Vikhrenko, Vyacheslav S

    2014-01-01T23:59:59.000Z

    We consider a simple model for the geminate electron-hole separation process in organic photovoltaicssss cells, in order to illustrate the influence of dimensionality of conducting channels on the efficiency of the process. The Miller-Abrahams expression for the transition rates between nearest neighbor sites was used for simulating random walks of the electron in the Coulomb field of the hole. The non-equilibrium kinetic Monte Carlo simulation results qualitatively confirm the equilibrium estimations, although quantitatively the efficiency of the higher dimensional systems is less pronounced. The lifetime of the electron prior to recombination is approximately equal to the lifetime prior to dissociation. Their values indicate that electrons perform long stochastic walks before they are captured by the collector or recombined. The non-equilibrium free energy considerably differs from the equilibrium one. The efficiency of the separation process decreases with increasing the distance to the collector, and this...

  1. On holographic thermalization and gravitational collapse of tachyonic scalar fields

    E-Print Network [OSTI]

    Bin Wu

    2013-03-24T23:59:59.000Z

    In this paper we study the thermalization of a spatially homogeneous system in a strongly coupled CFT. The non-equilibrium initial state is created by switching on a relevant perturbation in the CFT vacuum during Delta t >= t >= -Delta t. Via AdS/CFT, the thermalization process corresponds to the gravitational collapse of a tachyonic scalar field (m^2 = -3) in the Poincare patch of AdS_5. In the limit Delta t = 1/T, we also obtain double-collapse solutions but with a non-equilibrium intermediate state at t = 0. In all the cases our results show that the system thermalizes in a typical time t_T ~ O(1)/T. Besides, a conserved energy-moment current in the bulk is found, which helps understand the qualitative difference of the collapse process in the Poincare patch from that in global AdS[9, 10].

  2. A unified cosmic evolution: Inflation to late time acceleration

    E-Print Network [OSTI]

    Subenoy Chakraborty; Supriya Pan; Subhajit Saha

    2015-04-30T23:59:59.000Z

    The present work deals with a cosmological model having particle creation mechanism in the framework of irreversible thermodynamics. In the second order non-equilibrium thermodynamical prescription, the particle creation rate is treated as the dissipative effect. The non-equilibrium thermodynamical process is assumed to be isentropic, and, as a consequence, the entropy per particle is constant, and, hence, the dissipative pressure can be expressed linearly in terms of the particle creation rate in the background of the homogeneous and isotropic flat FLRW model. By proper choice of the particle creation rate as a function of the Hubble parameter, the model shows the evolution of the universe starting from the inflationary scenario to the present accelerating phase, considering the cosmic matter as normal perfect fluid with barotropic equation of state.

  3. Fluctuations in Single-Shot $?$-Deterministic Work Extraction

    E-Print Network [OSTI]

    Sina Salek; Karoline Wiesner

    2015-04-20T23:59:59.000Z

    In the single-shot regime it is argued that the criterion for allowed state transitions ought to be more restricted than the second law of thermodynamics, and is given by a condition called thermo-majorisation. Hence to arrive at a fluctuation theorem for the single-shot scenario, such a restriction has to be taken into account. Here we formulate and prove a tighter fluctuation relation for the single-shot $\\epsilon$-deterministic work extraction. The result links two areas of thermodynamics which have been of great interest recently, fluctuation relations for non-equilibrium processes and the $\\epsilon$-deterministic work extractable from single microscopic non-equilibrium systems. Furthermore, in doing so, we unify the notions of fluctuation in $\\epsilon$-deterministic work extraction and in fluctuation theorems.

  4. Roles of Dry Friction in Fluctuating Motion of Adiabatic Piston

    E-Print Network [OSTI]

    Tomohiko G. Sano; Hisao Hayakawa

    2014-03-08T23:59:59.000Z

    The motion of an adiabatic piston under dry friction is investigated to clarify the roles of dry friction in non-equilibrium steady states. We clarify that dry friction can reverse the direction of the piston motion and causes a discontinuity or a cusp-like singularity for velocity distribution functions of the piston. We also show that the heat fluctuation relation is modified under dry friction.

  5. Liu UCD Phy9B 07 1 Ch 20. The Second Law of

    E-Print Network [OSTI]

    Yoo, S. J. Ben

    Statements #12;Liu UCD Phy9B 07 9 20-6. Carnot Cycle Carnot engine QH ~ TH QC ~ TC eCarnot =1- |QC/QH|=1- TC of Thermodynamic Processes Reversible vs. Irreversible processes Equilibrium vs. non-equilibrium processes Maximum volume rV Compression ratio r (typically 8-10) #12;Liu UCD Phy9B 07 5 Otto Cycle QH=nCV(Tc-Tb) >0

  6. Peculiarities of wave fields in nonlocal media

    E-Print Network [OSTI]

    V. A. Danylenko; S. I. Skurativskyi

    2015-03-02T23:59:59.000Z

    The article summarizes the studies of wave fields in structured non-equilibrium media describing by means of nonlocal hydrodynamic models. Due to the symmetry properties of models, we derived the invariant wave solutions satisfying autonomous dynamical systems. Using the methods of numerical and qualitative analysis, we have shown that these systems possess periodic, multiperiodic, quasiperiodic, chaotic, and soliton-like solutions. Bifurcation phenomena caused by the varying of nonlinearity and nonlocality degree are investigated as well.

  7. Ion pump activity generates fluctuating electrostatic forces in biomembranes

    E-Print Network [OSTI]

    B. Loubet; M. A. Lomholt

    2011-09-19T23:59:59.000Z

    We study the non-equilibrium dynamics of lipid membranes with proteins that actively pump ions across the membrane. We find that the activity leads to a fluctuating force distribution due to electrostatic interactions arising from variation in dielectric constant across the membrane. By applying a multipole expansion we find effects on both the tension and bending rigidity dominated parts of the membranes fluctuation spectrum. We discuss how our model compares with previous studies of force-multipole models.

  8. A mathematical and experimental study of caustic flooding

    E-Print Network [OSTI]

    Shen, Tsu-Cheng

    1985-01-01T23:59:59.000Z

    : Dr. Ching Buang Wu A simple non-equilibrium chemical displacement model for continuous, linear, caustic flooding of crude oil is presented. The laboratory experiments were conducted to support the numerical simulation and to verify the results...-water fractional flow curves depending on its local concentration and water saturation. The numerical study was supported by caustic displacement testing of Sacroc crude oil. Quantitative agreements were found between the results from mathematical and experimen...

  9. Engineering nuclear spin dynamics with optically pumped nitrogen-vacancy center

    E-Print Network [OSTI]

    Ping Wang; Jiangfeng Du; Wen Yang

    2015-03-01T23:59:59.000Z

    We present a general theory for using an optically pumped diamond nitrogen-vacancy center as a tunable, non-equilibrium bath to control a variety of nuclear spin dynamics (such as dephasing, relaxation, squeezing, polarization, etc.) and the nuclear spin noise. It opens a new avenue towards engineering the dissipative and collective nuclear spin evolution and solves an open problem brought up by the $^{13}$C nuclear spin noise suppression experiment [E. Togan \\textit{et al}., Nature 478, 497 (2011)].

  10. Computation via dynamic self-assembly of idealized protein networks.

    SciTech Connect (OSTI)

    Bouchard, Ann Marie; Osbourn, Gordon Cecil

    2003-08-01T23:59:59.000Z

    We describe stochastic agent-based simulations of protein-emulating agents to perform computation via dynamic self-assembly. The binding and actuation properties of the types of agents required to construct a RAM machine (equivalent to a Turing machine) are described. We present an example computation and describe the molecular biology and non-equilibrium statistical mechanics, and information science properties of this system.

  11. Independent electrons model for open quantum systems: Landauer-Buettiker formula and strict positivity of the entropy production

    E-Print Network [OSTI]

    G. Nenciu

    2006-10-26T23:59:59.000Z

    A general argument leading from the formula for currents through an open noninteracting mesoscopic system given by the theory of non-equilibrium steady states (NESS) to the Landauer-Buettiker formula is pointed out. Time reversal symmetry is not assumed. As a consequence it follows that, as far as the system has a nontrivial scattering theory and the reservoirs have different temperatures and/or chemical potentials, the entropy production is strictly positive.

  12. Freak observers and the measure of the multiverse

    E-Print Network [OSTI]

    Alexander Vilenkin

    2006-12-13T23:59:59.000Z

    I suggest that the factor $p_j$ in the pocket-based measure of the multiverse, $P_j=p_j f_j$, should be interpreted as accounting for equilibrium de Sitter vacuum fluctuations, while the selection factor $f_j$ accounts for the number of observers that were formed due to non-equilibrium processes resulting from such fluctuations. I show that this formulation does not suffer from the problem of freak observers (also known as Boltzmann brains).

  13. Modeling for Anaerobic Fixed-Bed Biofilm Reactors

    SciTech Connect (OSTI)

    Liu, B. Y. M.; Pfeffer, J. T.

    1989-06-01T23:59:59.000Z

    The specific objectives of this research were: 1. to develop an equilibrium model for chemical aspects of anaerobic reactors; 2. to modify the equilibrium model for non-equilibrium conditions; 3. to incorporate the existing biofilm models into the models above to study the biological and chemical behavior of the fixed-film anaerobic reactors; 4. to experimentally verify the validity of these models; 5. to investigate the biomass-holding ability of difference packing materials for establishing reactor design criteria.

  14. False Vacuum Decay after Inflation

    E-Print Network [OSTI]

    T. Asaka; W. Buchmuller; L. Covi

    2001-04-03T23:59:59.000Z

    Inflation is terminated by a non-equilibrium process which finally leads to a thermal state. We study the onset of this transition in a class of hybrid inflation models. The exponential growth of tachyonic modes leads to decoherence and spinodal decomposition. We compute the decoherence time, the spinodal time, the size of the formed domains and the homogeneous classical fields within a single domain.

  15. Connected Operators for the Totally Asymmetric Exclusion Process

    E-Print Network [OSTI]

    Golinelli, O; 10.1088/1751-8113/40/44/004

    2009-01-01T23:59:59.000Z

    We fully elucidate the structure of the hierarchy of the connected operators that commute with the Markov matrix of the Totally Asymmetric Exclusion Process (TASEP). We prove for the connected operators a combinatorial formula that was conjectured in a previous work. Our derivation is purely algebraic and relies on the algebra generated by the local jump operators involved in the TASEP. Keywords: Non-Equilibrium Statistical Mechanics, ASEP, Exact Results, Algebraic Bethe Ansatz.

  16. Connected Operators for the Totally Asymmetric Exclusion Process

    E-Print Network [OSTI]

    O. Golinelli; K. Mallick

    2007-04-06T23:59:59.000Z

    We fully elucidate the structure of the hierarchy of the connected operators that commute with the Markov matrix of the Totally Asymmetric Exclusion Process (TASEP). We prove for the connected operators a combinatorial formula that was conjectured in a previous work. Our derivation is purely algebraic and relies on the algebra generated by the local jump operators involved in the TASEP. Keywords: Non-Equilibrium Statistical Mechanics, ASEP, Exact Results, Algebraic Bethe Ansatz.

  17. Normal Heat Conductivity in a strongly pinned chain of anharmonic oscillators

    E-Print Network [OSTI]

    R. Lefevere; A. Schenkel

    2005-11-03T23:59:59.000Z

    We consider a chain of coupled and strongly pinned anharmonic oscillators subject to a non-equilibrium random forcing. Assuming that the stationary state is approximately Gaussian, we first derive a stationary Boltzmann equation. By localizing the involved resonances, we next invert the linearized collision operator and compute the heat conductivity. In particular, we show that the Gaussian approximation yields a finite conductivity $\\kappa\\sim\\frac{1}{\\lambda^2T^2}$, for $\\lambda$ the anharmonic coupling strength.

  18. Occam's Razor Cuts Away the Maximum Entropy Principle

    E-Print Network [OSTI]

    Rudnicki, ?ukasz

    2014-01-01T23:59:59.000Z

    I show that the maximum entropy principle can be replaced by a more natural assumption, that there exists a phenomenological function of entropy consistent with the microscopic model. The requirement of existence provides then a unique construction of the related probability density. I conclude the letter with an axiomatic formulation of the notion of entropy, which is suitable for exploration of the non-equilibrium phenomena.

  19. The maximum entropy tecniques and the statistical description of systems

    E-Print Network [OSTI]

    B. Z. Belashev; M. K. Suleymanov

    2001-10-19T23:59:59.000Z

    The maximum entropy technique (MENT) is used to determine the distribution functions of physical values. MENT naturally combines required maximum entropy, the properties of a system and connection conditions in the form of restrictions imposed on the system. It can, therefore, be employed to statistically describe closed and open systems. Examples in which MENT is used to describe equilibrium and non-equilibrium states, as well as steady states that are far from being in thermodynamic equilibrium, are discussed.

  20. Solidification characterization of a new rapidly solidified Ni-Cr-Co based superalloy

    SciTech Connect (OSTI)

    Wu, Kai, E-mail: wk-ustb@163.com [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China)] [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Liu, Guoquan [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China) [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Hu, Benfu [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China)] [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Li, Feng [Department of Materials Science and Metallurgy, University of Cambridge, Cambridge CB2 3QZ (United Kingdom)] [Department of Materials Science and Metallurgy, University of Cambridge, Cambridge CB2 3QZ (United Kingdom); Zhang, Yiwen [School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China) [School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); High Temperature Materials Research Institution, CISRI, Beijing 100081 (China); Tao, Yu; Liu, Jiantao [High Temperature Materials Research Institution, CISRI, Beijing 100081 (China)] [High Temperature Materials Research Institution, CISRI, Beijing 100081 (China)

    2012-11-15T23:59:59.000Z

    The solidification characterization of a new rapidly solidified Ni-Cr-Co based superalloy prepared by plasma rotating electrode process was investigated by means of optical microscope, scanning electron microscope, and transmission electron microscope. The results show that the solidification microstructure changes from dendrites to cellular and microcrystal structures with decreasing powder size. The elements of Co, Cr, W and Ni are enriched in the dendrites, while Mo, Nb and Ti are higher in the interdendritic regions. The relationships between powder size with the average solid-liquid interface moving rate, the average interface temperature gradient and the average cooling rate are established. Microsegregation is increased with larger powder size. The geometric integrity of MC Prime type carbides in the powders changes from regular to diverse with decreasing powder size. The morphology and quantity of carbides depend on the thermal parameters and non-equilibrium solute partition coefficients during rapid solidification. - Highlights: Black-Right-Pointing-Pointer The relations of solidification thermal parameters with powder size are established. Black-Right-Pointing-Pointer The relation of non-equilibrium solute partition with powder size is investigated. Black-Right-Pointing-Pointer The solidification microstructure is related to thermal parameters. Black-Right-Pointing-Pointer The segregation behavior is linked to non-equilibrium partition coefficients. Black-Right-Pointing-Pointer The morphology and quantity of carbides depend on the above combined factors.

  1. An in vitro study of gas exchanges in cultures of Phymatotrichum omnivorum (Shear) Duggar

    E-Print Network [OSTI]

    Hill, Thomas Fielding

    1972-01-01T23:59:59.000Z

    in Cultures of Ph atotrichum omnivorum (Shear) Duggar. (August 19(2) Thomas Fielding Hill, Jr. , B. A. Sam Houston State Directed by: Dr. Stuart D. Lyda Cultures of Ph atotrichum omnivorum grown in glass culture flasks on a d. efined medium were monl... the cultures were analyzed us1ng Beckman GC-4 and GC-5 gas chromatographs. Carbon d1oxide, 02 and N2 concentrations were determined at 48-hr intervals while ethylene concentrations were determ1ned at 24-hr intervals. Strand and sclerotial initials were...

  2. Multiple-relaxation-time lattice Boltzmann kinetic model for combustion

    E-Print Network [OSTI]

    Aiguo Xu; Chuandong Lin; Guangcai Zhang; Yingjun Li

    2015-03-13T23:59:59.000Z

    To probe both the Hydrodynamic Non-Equilibrium (HNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion process, a two-dimensional Multiple-Relaxation-Time (MRT) version of Lattice Boltzmann Kinetic Model(LBKM) for combustion phenomena is presented. The chemical energy released in the progress of combustion is dynamically coupled into the system by adding a chemical term to the LB kinetic equation. Beside describing the evolutions of the conserved quantities, the density, momentum and energy, which are what the Navier-Stokes model describes, the MRT-LBKM presents also a coarse-grained description on the evolutions of some non-conserved quantities. The current model works for both subsonic and supersonic flows with or without chemical reaction. In this model both the specific-heat ratio and the Prandtl number are flexible, the TNE effects are naturally presented in each simulation step. The model is verified and validated via well-known benchmark tests. As an initial application, various non-equilibrium behaviours, including the complex interplays between various HNEs, between various TNEs and between the HNE and TNE, around the detonation wave in the unsteady and steady one-dimensional detonation processes are preliminarily probed. It is found that the system viscosity (or heat conductivity) decreases the local TNE, but increase the global TNE around the detonation wave, that even locally, the system viscosity (or heat conductivity) results in two kinds of competing trends, to increase and to decrease the TNE effects. The physical reason is that the viscosity (or heat conductivity) takes part in both the thermodynamic and hydrodynamic responses.

  3. Particle production in matter at extreme conditions

    E-Print Network [OSTI]

    Inga Kuznetsova

    2009-09-04T23:59:59.000Z

    We study particle production and its density evolution and equilibration in hot dense medium. One type of hot dense medium, which we study, is hadronic gas produced at quark gluon plasma hadronization in heavy ions collisions in SPS, RHIC and LHC experiments. We study hadron production at non-equilibrium quark gluon plasma hadronization and their evolution in thermal hadronic gas phase. We use non-equilibrium hadronization as the initial condition in the study of hadronic kinetic phase. During this time period some hadronic resonances can be produced in lighter hadrons fusion. Production of resonances is dominant over decay if there is non-equilibrium excess of decay products. Within this model we explain apparently contradictory experimental results reported in RHIC experiments: Sigma(1385) yield is enhanced while Lambda(1520) yield is suppressed compared to the statistical hadronization model expectation obtained without kinetic phase. We also predict Delta(1232) enhancement. The second type of plasma medium we consider is the relativistic electron positron photon plasma drop. This plasma is expected to be produced in decay of supercritical field created in ultrashort laser pulse. We study at what conditions this plasma drop is opaque for photons and therefore may reach thermal and chemical equilibrium. Further we consider muon and pion production in this plasma also as a diagnostic tool. Finally all these theoretical developments can be applied to begin a study of particles evolution in early universe in temperatures domain from QGP hadronization (160 MeV) to nucleosynthesis (0.1 MeV). The first results on pion equilibration are presented here.

  4. Method and apparatus for chemically altering fluids in continuous flow

    DOE Patents [OSTI]

    Heath, W.O.; Virden, J.W. Jr.; Richardson, R.L.; Bergsman, T.M.

    1993-10-19T23:59:59.000Z

    The present invention relates to a continuous flow fluid reactor for chemically altering fluids. The reactor operates on standard frequency (50 to 60 Hz) electricity. The fluid reactor contains particles that are energized by the electricity to form a corona throughout the volume of the reactor and subsequently a non-equilibrium plasma that interacts with the fluid. Particles may form a fixed bed or a fluid bed. Electricity may be provided through electrodes or through an inductive coil. Fluids include gases containing exhaust products and organic fuels requiring oxidation. 4 figures.

  5. Atomic and molecular supernovae

    SciTech Connect (OSTI)

    Liu, W.

    1997-12-01T23:59:59.000Z

    Atomic and molecular physics of supernovae is discussed with an emphasis on the importance of detailed treatments of the critical atomic and molecular processes with the best available atomic and molecular data. The observations of molecules in SN 1987A are interpreted through a combination of spectral and chemical modelings, leading to strong constraints on the mixing and nucleosynthesis of the supernova. The non-equilibrium chemistry is used to argue that carbon dust can form in the oxygen-rich clumps where the efficient molecular cooling makes the nucleation of dust grains possible. For Type Ia supernovae, the analyses of their nebular spectra lead to strong constraints on the supernova explosion models.

  6. Majorana qubit decoherence by quasiparticle poisoning

    E-Print Network [OSTI]

    Diego Rainis; Daniel Loss

    2012-05-30T23:59:59.000Z

    We consider the problem of quasiparticle poisoning in a nanowire-based realization of a Majorana qubit, where a spin-orbit-coupled semiconducting wire is placed on top of a (bulk) superconductor. By making use of recent experimental data exhibiting evidence of a low-temperature residual non-equilibrium quasiparticle population in superconductors, we show by means of analytical and numerical calculations that the dephasing time due to the tunneling of quasiparticles into the nanowire may be problematically short to allow for qubit manipulation.

  7. Majorana qubit decoherence by quasiparticle poisoning

    E-Print Network [OSTI]

    Rainis, Diego

    2012-01-01T23:59:59.000Z

    We consider the problem of quasiparticle poisoning in a nanowire-based realization of a Majorana qubit, where a spin-orbit-coupled semiconducting wire is placed on top of a (bulk) superconductor. By making use of recent experimental data exhibiting evidence of a low-temperature residual non-equilibrium quasiparticle population in superconductors, we show by means of analytical and numerical calculations that the dephasing time due to the tunneling of quasiparticles into the nanowire may be problematically short to allow for qubit manipulation.

  8. Ballistic performance comparison of monolayer transition metal dichalcogenide MX{sub 2} (M = Mo, W; X = S, Se, Te) metal-oxide-semiconductor field effect transistors

    SciTech Connect (OSTI)

    Chang, Jiwon; Register, Leonard F.; Banerjee, Sanjay K. [Microelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758 (United States)

    2014-02-28T23:59:59.000Z

    We study the transport properties of monolayer MX{sub 2} (M?=?Mo, W; X?=?S, Se, Te) n- and p-channel metal-oxide-semiconductor field effect transistors (MOSFETs) using full-band ballistic non-equilibrium Green's function simulations with an atomistic tight-binding Hamiltonian with hopping potentials obtained from density functional theory. We discuss the subthreshold slope, drain-induced barrier lowering (DIBL), as well as gate-induced drain leakage (GIDL) for different monolayer MX{sub 2} MOSFETs. We also report the possibility of negative differential resistance behavior in the output characteristics of nanoscale monolayer MX{sub 2} MOSFETs.

  9. Feedback-controlled transport in an interacting colloidal system

    E-Print Network [OSTI]

    Ken Lichtner; Sabine H. L. Klapp

    2010-11-03T23:59:59.000Z

    Based on dynamical density functional theory (DDFT) we consider a non-equilibrium system of interacting colloidal particles driven by a constant tilting force through a periodic, symmetric "washboard" potential. We demonstrate that, despite of pronounced spatio-temporal correlations, the particle current can be reversed by adding suitable feedback control terms to the DDFT equation of motion. We explore two distinct control protocols with time delay, focussing on either the particle positions or the density profile. Our study shows that the DDFT is an appropriate framework to implement time-delayed feedback control strategies widely used in other fields of nonlinear physics

  10. Entropy Meters and the Entropy of Non-extensive Systems

    E-Print Network [OSTI]

    Elliott H. Lieb; Jakob Yngvason

    2014-03-30T23:59:59.000Z

    In our derivation of the second law of thermodynamics from the relation of adiabatic accessibility of equilibrium states we stressed the importance of being able to scale a system's size without changing its intrinsic properties. This leaves open the question of defining the entropy of macroscopic, but unscalable systems, such as gravitating bodies or systems where surface effects are important. We show here how the problem can be overcome, in principle, with the aid of an `entropy meter'. An entropy meter can also be used to determine entropy functions for non-equilibrium states and mesoscopic systems.

  11. Damping of sound waves in superfluid nucleon-hyperon matter of neutron stars

    E-Print Network [OSTI]

    Elena M. Kantor; Mikhail E. Gusakov

    2009-01-26T23:59:59.000Z

    We consider sound waves in superfluid nucleon-hyperon matter of massive neutron-star cores. We calculate and analyze the speeds of sound modes and their damping times due to the shear viscosity and non-equilibrium weak processes of particle transformations. For that, we employ the dissipative relativistic hydrodynamics of a superfluid nucleon-hyperon mixture, formulated recently [M.E. Gusakov and E.M. Kantor, Phys. Rev. D78, 083006 (2008)]. We demonstrate that the damping times of sound modes calculated using this hydrodynamics and the ordinary (nonsuperfluid) one, can differ from each other by several orders of magnitude.

  12. Pulsed Electrical Spin Injection into InGaAs Quantum Dots: Studies of the Electroluminescence Polarization Dynamics

    SciTech Connect (OSTI)

    Asshoff, P.; Loeffler, W.; Fluegge, H.; Zimmer, J.; Mueller, J.; Westenfelder, B.; Hu, D. Z.; Schaadt, D. M.; Kalt, H.; Hetterich, M. [Institut fuer Angewandte Physik and DFG Center for Functional Nanostructures (CFN), Universitaet Karlsruhe, 76131 Karlsruhe (Germany)

    2010-01-04T23:59:59.000Z

    We present time-resolved studies of the spin polarization dynamics during and after initialization through pulsed electrical spin injection into InGaAs quantum dots embedded in a p-i-n-type spin-injection light-emitting diode. Experiments are performed with pulse widths in the nanosecond range and a time-resolved single photon counting setup is used to detect the subsequent electroluminescence. We find evidence that the achieved spin polarization shows an unexpected temporal behavior, attributed mainly to many-carrier and non-equilibrium effects in the device.

  13. Manipulation of Colloids by Nonequilibrium Depletion Force in Temperature Gradient

    E-Print Network [OSTI]

    Hong-Ren Jiang; Hirofumi Wada; Natsuhiko Yoshinaga; Masaki Sano

    2009-04-22T23:59:59.000Z

    The non-equilibrium distribution of colloids in a polymer solution under a temperature gradient is studied experimentally. A slight increase of local temperature by a focused laser drives the colloids towards the hot region, resulting in the trapping of the colloids irrespective of their own thermophoretic properties. An amplification of the trapped colloid density with the polymer concentration is measured, and is quantitatively explained by hydrodynamic theory. The origin of the attraction is a migration of colloids driven by a non-uniform polymer distribution sustained by the polymer's thermophoresis. These results show how to control thermophoretic properties of colloids.

  14. Coherent spin mixing dynamics in thermal $^{87}$Rb spin-1 and spin-2 gases

    E-Print Network [OSTI]

    He, Xiaodong; Li, Xiaoke; Wang, Fudong; Xu, Zhifang; Wang, Dajun

    2015-01-01T23:59:59.000Z

    We study the non-equilibrium coherent spin mixing dynamics in ferromagnetic spin-1 and antiferromagnetic spin-2 thermal gases of ultracold $^{87}$Rb atoms. Long lasting spin population oscillations with magnetic field dependent resonances are observed in both cases. Our observations are well reproduced by Boltzmann equations of the Wigner distribution function. Compared to the equation of motion of spinor Bose-Einstein condensates, the only difference here is a factor of two increase in the spin-dependent interaction, which is confirmed directly in the spin-2 case by measuring the relation between the oscillation amplitude and the sample's density.

  15. Dynamics of kicked particles in a double-barrier structure

    E-Print Network [OSTI]

    Harinder Pal; M. S. Santhanam

    2010-11-29T23:59:59.000Z

    We study the classical and quantum dynamics of periodically kicked particles placed initially within an open double-barrier structure. This system does not obey the Kolmogorov-Arnold-Moser (KAM) theorem and displays chaotic dynamics. The phase space features induced by non-KAM nature of the system leads to dynamical features such as the non-equilibrium steady state, classically induced saturation of energy growth and momentum filtering. We also comment on the experimental feasibility of this system as well as its relevance in the context of current interest in classically induced localization and chaotic ratchets.

  16. Method and apparatus for chemically altering fluids in continuous flow

    DOE Patents [OSTI]

    Heath, William O. (Richland, WA); Virden, Jr., Judson W. (Richland, WA); Richardson, R. L. (West Richland, WA); Bergsman, Theresa M. (Richland, WA)

    1993-01-01T23:59:59.000Z

    The present invention relates to a continuous flow fluid reactor for chemically altering fluids. The reactor operates on standard frequency (50 to 60 Hz) electricity. The fluid reactor contains particles that are energized by the electricity to form a corona throughout the volume of the reactor and subsequently a non-equilibrium plasma that interacts with the fluid. Particles may form a fixed bed or a fluid bed. Electricity may be provided through electrodes or through an inductive coil. Fluids include gases containing exhaust products and organic fuels requiring oxidation.

  17. Modeling direct interband tunneling. II. Lower-dimensional structures

    SciTech Connect (OSTI)

    Pan, Andrew, E-mail: pandrew@ucla.edu [Department of Electrical Engineering, University of California, Los Angeles, Los Angeles, California 90095 (United States); Chui, Chi On [Department of Electrical Engineering, University of California, Los Angeles, Los Angeles, California 90095 (United States); California NanoSystems Institute, University of California, Los Angeles, Los Angeles, California 90095 (United States)

    2014-08-07T23:59:59.000Z

    We investigate the applicability of the two-band Hamiltonian and the widely used Kane analytical formula to interband tunneling along unconfined directions in nanostructures. Through comparisons with k·p and tight-binding calculations and quantum transport simulations, we find that the primary correction is the change in effective band gap. For both constant fields and realistic tunnel field-effect transistors, dimensionally consistent band gap scaling of the Kane formula allows analytical and numerical device simulations to approximate non-equilibrium Green's function current characteristics without arbitrary fitting. This allows efficient first-order calibration of semiclassical models for interband tunneling in nanodevices.

  18. Momentum signatures for Schwinger pair production in short laser pulses with a sub-cycle structure

    E-Print Network [OSTI]

    Florian Hebenstreit; Reinhard Alkofer; Gerald V. Dunne; Holger Gies

    2009-04-20T23:59:59.000Z

    We investigate electron-positron pair production from vacuum for short laser pulses with sub-cycle structure, in the nonperturbative regime (Schwinger pair production). We use the non-equilibrium quantum kinetic approach, and show that the momentum spectrum of the created electron-positron pairs is extremely sensitive to the sub-cycle dynamics -- depending on the laser frequency $\\omega$, the pulse length $\\tau$, and the carrier phase $\\phi$ -- and shows several distinctive new signatures. This observation could help not only in the design of laser pulses to optimize the experimental signature of Schwinger pair production, but also ultimately lead to new probes of light pulses at extremely short time scales.

  19. QCD plasma instability and thermalisation at heavy ion collisions

    E-Print Network [OSTI]

    Dietrich Bodeker; Kari Rummukainen

    2007-11-13T23:59:59.000Z

    Under suitable non-equilibrium conditions QCD plasma can develop plasma instabilities, where some modes of the plasma grow exponentially. It has been argued that these instabilities can play a significant role in the thermalisation of the plasma in heavy-ion collision experiments. We study the instability in SU(2) plasmas using the hard thermal loop effective lattice theory, which is suitable for studying real-time evolution of long wavelength modes in the plasma. We observe that under suitable conditions the plasma can indeed develop an instability which can grow to a very large magnitude, necessary for the rapid thermalisation in heavy-ion collisions.

  20. Entropy generation in a chemical reaction

    E-Print Network [OSTI]

    E. N. Miranda

    2012-08-10T23:59:59.000Z

    Entropy generation in a chemical reaction is analyzed without using the general formalism of non-equilibrium thermodynamics at a level adequate for advanced undergraduates. In a first approach to the problem, the phenomenological kinetic equation of an elementary first order reaction is used to show that entropy production is always positive. A second approach assumes that the reaction is near equilibrium to prove that the entropy generated is always greater than zero, without any reference to the kinetics of the reaction. Finally, it is shown that entropy generation is related to fluctuations in the number of particles at equilibrium, i.e. it is associated to a microscopic process.

  1. Plastic flow in solids with interfaces

    E-Print Network [OSTI]

    Anurag Gupta; David Steigmann

    2011-11-25T23:59:59.000Z

    A non-equilibrium theory of isothermal and diffusionless evolution of incoherent interfaces within a plastically deforming solid is developed. The irreversible dynamics of the interface are driven by its normal motion, incoherency (slip and misorientation), and an intrinsic plastic flow; and purely by plastic deformation in the bulk away from the interface. Using the continuum theory for defect distribution (in bulk and over the interface) we formulate a general kinematical framework, derive relevant balance laws and jump conditions, and prescribe a thermodynamically consistent constitutive/kinetic structure for interface evolution.

  2. A feasibility study of the determination of mass transfer rates from perturbation gas chromatography

    E-Print Network [OSTI]

    Huang, Wei-Yih

    1984-01-01T23:59:59.000Z

    and be given as ** ? '". , "-- **. * ? '". . "--( ? '". - *, :, ? ". , 'I. i=1, 2, . . . , (n-l) (4) where " indicates steady-state value and ~y-y-y* 1 i i AX = X ? X * 1 1 1 Por the local equilibrium case, if the flowing phase rate is slow.... (6) into Eq. (4), a set of linearized chro- matographic relations for the multicomponent case including the sorption effects will be obtained. This is well de- monstz'ated in Glover and Lau (19$3). For the non-equilibrium case, finite mass...

  3. Curl flux, coherence, and population landscape of molecular systems: Nonequilibrium quantum steady state, energy (charge) transport, and thermodynamics

    SciTech Connect (OSTI)

    Zhang, Z. D. [Department of Physics and Astronomy, SUNY Stony Brook, New York 11794 (United States); Wang, J. [Department of Physics and Astronomy, SUNY Stony Brook, New York 11794 (United States); Department of Chemistry, SUNY Stony Brook, New York 11794 (United States); State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, Jilin 130022 (China)

    2014-06-28T23:59:59.000Z

    We established a theoretical framework in terms of the curl flux, population landscape, and coherence for non-equilibrium quantum systems at steady state, through exploring the energy and charge transport in molecular processes. The curl quantum flux plays the key role in determining transport properties and the system reaches equilibrium when flux vanishes. The novel curl quantum flux reflects the degree of non-equilibriumness and the time-irreversibility. We found an analytical expression for the quantum flux and its relationship to the environmental pumping (non-equilibriumness quantified by the voltage away from the equilibrium) and the quantum tunneling. Furthermore, we investigated another quantum signature, the coherence, quantitatively measured by the non-zero off diagonal element of the density matrix. Populations of states give the probabilities of individual states and therefore quantify the population landscape. Both curl flux and coherence depend on steady state population landscape. Besides the environment-assistance which can give dramatic enhancement of coherence and quantum flux with high voltage at a fixed tunneling strength, the quantum flux is promoted by the coherence in the regime of small tunneling while reduced by the coherence in the regime of large tunneling, due to the non-monotonic relationship between the coherence and tunneling. This is in contrast to the previously found linear relationship. For the systems coupled to bosonic (photonic and phononic) reservoirs the flux is significantly promoted at large voltage while for fermionic (electronic) reservoirs the flux reaches a saturation after a significant enhancement at large voltage due to the Pauli exclusion principle. In view of the system as a quantum heat engine, we studied the non-equilibrium thermodynamics and established the analytical connections of curl quantum flux to the transport quantities such as energy (charge) transfer efficiency, chemical reaction efficiency, energy dissipation, heat and electric currents observed in the experiments. We observed a perfect transfer efficiency in chemical reactions at high voltage (chemical potential difference). Our theoretical predicted behavior of the electric current with respect to the voltage is in good agreements with the recent experiments on electron transfer in single molecules.

  4. Hydrodynamic radial and elliptic flow in heavy-ion collisions from AGS to LHC energies

    E-Print Network [OSTI]

    Gregory Kestin; Ulrich W Heinz

    2008-11-28T23:59:59.000Z

    Using ideal relativistic hydrodynamics in 2+1 dimensions, we study the collision energy dependence of radial and elliptic flow, of the emitted hadron spectra, and of the transverse momentum dependence of several hadronic particle ratios, covering the range from Alternating Gradient Synchrotron (AGS) to Large Hadron Collider (LHC) energies. These calculations establish an ideal fluid dynamic baseline that can be used to assess non-equilibrium features manifest in future LHC heavy-ion experiments. Contrary to earlier suggestions we find that a saturation and even decrease of the differential elliptic flow v_2(p_T) with increasing collision energy cannot be unambiguously associated with the QCD phase transition.

  5. Microscopic model of a phononic refrigerator

    E-Print Network [OSTI]

    Liliana Arrachea; Eduardo Mucciolo; Claudio Chamon; Rodrigo Capaz

    2012-11-05T23:59:59.000Z

    We analyze a simple microscopic model to pump heat from a cold to a hot reservoir in a nanomechanical system. The model consists of a one-dimensional chain of masses and springs coupled to a back gate through which a time-dependent perturbation is applied. The action of the gate is to modulate the coupling of the masses to a substrate via additional springs that introduce a moving phononic barrier. We solve the problem numerically using non-equilibrium Green function techniques. For low driving frequencies and for sharp traveling barriers, we show that this microscopic model realizes a phonon refrigerator.

  6. Spin noise spectroscopy beyond thermal equilibrium and linear response

    E-Print Network [OSTI]

    P. Glasenapp; Luyi Yang; D. Roy; D. G. Rickel; A. Greilich; M. Bayer; N. A. Sinitsyn; S. A. Crooker

    2014-07-10T23:59:59.000Z

    Per the fluctuation-dissipation theorem, the information obtained from spin fluctuation studies in thermal equilibrium is necessarily constrained by the system's linear response functions. However, by including weak radiofrequency magnetic fields, we demonstrate that intrinsic and random spin fluctuations even in strictly unpolarized ensembles \\emph{can} reveal underlying patterns of correlation and coupling beyond linear response, and can be used to study non-equilibrium and even multiphoton coherent spin phenomena. We demonstrate this capability in a classical vapor of $^{41}$K alkali atoms, where spin fluctuations alone directly reveal Rabi splittings, the formation of Mollow triplets and Autler-Townes doublets, ac Zeeman shifts, and even nonlinear multiphoton coherences.

  7. Thermodynamics of discrete quantum processes

    E-Print Network [OSTI]

    Janet Anders; Vittorio Giovannetti

    2012-11-01T23:59:59.000Z

    We define thermodynamic configurations and identify two primitives of discrete quantum processes between configurations for which heat and work can be defined in a natural way. This allows us to uncover a general second law for any discrete trajectory that consists of a sequence of these primitives, linking both equilibrium and non-equilibrium configurations. Moreover, in the limit of a discrete trajectory that passes through an infinite number of configurations, i.e. in the reversible limit, we recover the saturation of the second law. Finally, we show that for a discrete Carnot cycle operating between four configurations one recovers Carnot's thermal efficiency.

  8. Broadband electromagnetic response and ultrafast dynamics of few-layer epitaxial graphene

    SciTech Connect (OSTI)

    Choi, Hyunyong; Borondics, Ferenc; Siegel, David A.; Zhou, Shuyun Y.; Martin, Michael C.; Lanzara, Alessandra; Kaindl, Robert A.

    2009-03-26T23:59:59.000Z

    We study the broadband optical conductivity and ultrafast carrier dynamics of epitaxial graphene in the few-layer limit. Equilibrium spectra of nominally buffer, monolayer, and multilayer graphene exhibit significant terahertz and near-infrared absorption, consistent with a model of intra- and interband transitions in a dense Dirac electron plasma. Non-equilibrium terahertz transmission changes after photoexcitation are shown to be dominated by excess hole carriers, with a 1.2-ps mono-exponential decay that refects the minority-carrier recombination time.

  9. Photo-activated biological processes as quantum measurements

    E-Print Network [OSTI]

    Atac Imamoglu; K. Birgitta Whaley

    2014-08-21T23:59:59.000Z

    We outline a framework for describing photo-activated biological reactions as generalized quantum measurements of external fields, for which the biological system takes on the role of a quantum meter. By using general arguments regarding the Hamiltonian that describes the measurement interaction, we identify the cases where it is essential for a complex chemical or biological system to exhibit non-equilibrium quantum coherent dynamics in order to achieve the requisite functionality. We illustrate the analysis by considering measurement of the solar radiation field in photosynthesis and measurement of the earth's magnetic field in avian magnetoreception.

  10. Electron kinetics in a microdischarge in nitrogen at atmospheric pressure

    SciTech Connect (OSTI)

    Levko, Dmitry [LAPLACE (Laboratoire Plasma et Conversion d'Energie), Universite de Toulouse, UPS, INPT Toulouse, 118 route de Narbonne, F-31062 Toulouse cedex 9 (France)] [LAPLACE (Laboratoire Plasma et Conversion d'Energie), Universite de Toulouse, UPS, INPT Toulouse, 118 route de Narbonne, F-31062 Toulouse cedex 9 (France)

    2013-12-14T23:59:59.000Z

    Electron kinetics during a microdischarge in nitrogen at atmospheric pressure is studied using the one-dimensional Particle-in-Cell/Monte Carlo Collisions model. It is obtained that the electron energy distribution function can be divided into three parts, namely, the non-equilibrium low-energy part, the Maxwellian function at moderate energies, and the high-energy tail. Simulation results showed that the role of the high-energy tail of electron energy distribution increases, when the distance between electrodes increases.

  11. Novel photonic crystal cavities and related structures.

    SciTech Connect (OSTI)

    Luk, Ting Shan

    2007-11-01T23:59:59.000Z

    The key accomplishment of this project is to achieve a much more in-depth understanding of the thermal emission physics of metallic photonic crystal through theoretical modeling and experimental measurements. An improved transfer matrix technique was developed to enable incorporation of complex dielectric function. Together with microscopic theory describing emitter radiative and non-radiative relaxation dynamics, a non-equilibrium thermal emission model is developed. Finally, experimental methodology was developed to measure absolute emissivity of photonic crystal at high temperatures with accuracy of +/-2%. Accurate emissivity measurements allow us to validate the procedure to treat the effect of the photonic crystal substrate.

  12. Real-time effective-action approach to the Anderson quantum dot

    E-Print Network [OSTI]

    Sexty, Denes; Pawlowski, Jan

    2010-01-01T23:59:59.000Z

    The non-equilibrium time evolution of an Anderson quantum dot is investigated. The quantum dot is coupled between two leads forming a chemical-potential gradient. We use Kadanoff-Baym dynamic equations within a non-perturbative resummation of the s-channel bubble chains. The effect of the resummation leads to the introduction of a frequency-dependent 4-point vertex. The tunneling to the leads is taken into account exactly. The method allows the determination of the transient as well as stationary transport through the quantum dot, and results are compared with different schemes discussed in the literature (fRG, ISPI, tDMRG and QMC).

  13. Real-time effective-action approach to the Anderson quantum dot

    E-Print Network [OSTI]

    Denes Sexty; Thomas Gasenzer; Jan Pawlowski

    2010-12-20T23:59:59.000Z

    The non-equilibrium time evolution of an Anderson quantum dot is investigated. The quantum dot is coupled between two leads forming a chemical-potential gradient. We use Kadanoff-Baym dynamic equations within a non-perturbative resummation of the s-channel bubble chains. The effect of the resummation leads to the introduction of a frequency-dependent 4-point vertex. The tunneling to the leads is taken into account exactly. The method allows the determination of the transient as well as stationary transport through the quantum dot, and results are compared with different schemes discussed in the literature (fRG, ISPI, tDMRG and QMC).

  14. Quantum thermal machines with single nonequilibrium environments

    E-Print Network [OSTI]

    Bruno Leggio; Bruno Bellomo; Mauro Antezza

    2015-01-08T23:59:59.000Z

    We propose a scheme for a quantum thermal machine made by atoms interacting with a single non-equilibrium electromagnetic field. The field is produced by a simple configuration of macroscopic objects held at thermal equilibrium at different temperatures. We show that these machines can deliver all thermodynamic tasks (cooling, heating and population inversion), and this by establishing quantum coherence with the body on which they act. Remarkably, this system allows to reach efficiencies at maximum power very close to the Carnot limit, much more than in existing models. Our findings offer a new paradigm for efficient quantum energy flux management, and can be relevant for both experimental and technological purposes.

  15. Reheating the Post Inflationary Universe

    E-Print Network [OSTI]

    D. Boyanovsky; M. D'Attanasio; H. J. de Vega; R. Holman; D. S. -Lee; A. Singh

    1995-05-03T23:59:59.000Z

    We consider the non-equilibrium evolution of the inflaton field coupled to both lighter scalars and fermions. The dissipational dynamics of this field is studied and found to be quite different than that believed in inflationary models. In particular, the damping time scale for the expectation value of the zero momentum mode of the inflaton can be much shorter than that given by the single particle decay rate when the inflaton amplitudes are large, as in chaotic inflation scenarios. We find that the reheating temperature may depart considerably from the usual estimates.

  16. Invariance of Structure in an Aging Colloidal Glass

    E-Print Network [OSTI]

    Gianguido C. Cianci; Rachel E. Courtland; Eric R. Weeks

    2005-11-11T23:59:59.000Z

    We study concentrated colloidal suspensions, a model system which has a glass transition. The non-equilibrium nature of the glassy state is most clearly highlighted by aging -- the dependence of the system's properties on the time elapsed since vitrification. Fast laser scanning confocal microscopy allows us to image a colloidal glass and track the particles in three dimensions. We analyze the static structure in terms of tetrahedral packing. We find that while the aging of the suspension clearly affects its dynamics, none of the geometrical quantities associated with tetrahedra change with age.

  17. Lane formation in a system of dipolar microswimmers

    E-Print Network [OSTI]

    Florian Kogler; Sabine H. L. Klapp

    2015-03-25T23:59:59.000Z

    Using Brownian Dynamics (BD) simulations we investigate the non-equilibrium structure formation of a two-dimensional (2D) binary system of dipolar colloids propelling in opposite directions. Despite of a pronounced tendency for chain formation, the system displays a transition towards a laned state reminiscent of lane formation in systems with isotropic repulsive interactions. However, the anisotropic dipolar interactions induce novel features: First, the lanes have themselves a complex internal structure characterized by chains or clusters. Second, laning occurs only in a window of interaction strengths. We interprete our findings by a phase separation process and simple force balance arguments.

  18. Self-organization without heat: the geometric ratchet effect

    E-Print Network [OSTI]

    Matteo Smerlak; Ahmed Youssef

    2012-06-15T23:59:59.000Z

    We point out a surprising feature of diffusion in inhomogeneous media: under suitable conditions, the rectification of the Brownian paths by a diffusivity gradient can result in initially spread tracers spontaneously concentrating. This "geometric ratchet effect" demonstrates that, in violation of the classical statements of the second law of (non-equilibrium) thermodynamics, self-organization can take place in thermodynamic systems at local equilibrium without heat being produced or exchanged with the environment. We stress the role of Bayesian priors in a suitable reformulation of the second law accommodating this geometric ratchet effect.

  19. Single polymer dynamics in elongational flow and the confluent Heun equation

    E-Print Network [OSTI]

    D. Vincenzi; E. Bodenschatz

    2006-11-28T23:59:59.000Z

    We investigate the non-equilibrium dynamics of an isolated polymer in a stationary elongational flow. We compute the relaxation time to the steady-state configuration as a function of the Weissenberg number. A strong increase of the relaxation time is found around the coil-stretch transition, which is attributed to the large number of polymer configurations. The relaxation dynamics of the polymer is solved analytically in terms of a central two-point connection problem for the singly confluent Heun equation.

  20. Phase Synchronization between Two Superradiant Lasers

    E-Print Network [OSTI]

    Joshua M. Weiner; Kevin C. Cox; Justin G. Bohnet; James K. Thompson

    2015-03-22T23:59:59.000Z

    We experimentally demonstrate synchronization between two distinct ensembles of cold atoms undergoing steady state superradiance within a single longitudinal and transverse mode of the same optical cavity. The synchronization process is studied first in terms of the time dynamics of re-synchronization when the phase alignment of the two oscillators is abruptly broken. We also observe the steady state behavior of the lasers as their relative frequency is continuously varied. This system has the potential to realize a non-equilibrium quantum phase transition and could inform future implementations of milliHertz linewidth lasers.

  1. Quantum Statistical Processes in the Early Universe

    E-Print Network [OSTI]

    B. L. Hu

    1993-02-22T23:59:59.000Z

    We show how the concept of quantum open system and the methods in non-equilibrium statistical mechanics can be usefully applied to studies of quantum statistical processes in the early universe. We first sketch how noise, fluctuation, dissipation and decoherence processes arise in a wide range of cosmological problems. We then focus on the origin and nature of noise in quantum fields and spacetime dynamics. We introduce the concept of geometrodynamic noise and suggest a statistical mechanical definition of gravitational entropy. We end with a brief discussion of the theoretical appropriateness to view the physical universe as an open system.

  2. A third alternative to explain recent observations: Future deceleration

    E-Print Network [OSTI]

    Subenoy Chakraborty; Supriya Pan; Subhajit Saha

    2014-10-30T23:59:59.000Z

    In the present work we discuss a third alternative to explain the latest observational data concerning the accelerating Universe and its different stages. The particle creation mechanism in the framework of non-equilibrium thermodynamics is considered as a basic cosmic mechanism acting on the flat FRW geometry. By assuming that the gravitationally induced particle production occurs under "adiabatic" conditions, the deceleration parameter is expressed in terms of the particle creation rate which is chosen as a truncated power series of the Hubble parameter. The model shows the evolution of the Universe starting from inflation to the present late time acceleration and it also predicts future decelerating stage.

  3. Mesoscale simulations of polymer dynamics in microchannel flows

    E-Print Network [OSTI]

    L. Cannavacciuolo; R. G. Winkler; G. Gompper

    2007-09-24T23:59:59.000Z

    The non-equilibrium structural and dynamical properties of flexible polymers confined in a square microchannel and exposed to a Poiseuille flow are investigated by mesoscale simulations. The chain length and the flow strength are systematically varied. Two transport regimes are identified, corresponding to weak and strong confinement. For strong confinement, the transport properties are independent of polymer length. The analysis of the long-time tumbling dynamics of short polymers yields non-periodic motion with a sublinear dependence on the flow strength. We find distinct differences for conformational as well as dynamical properties from results obtained for simple shear flow.

  4. Macroscopic fluctuations theory of aerogel dynamics

    E-Print Network [OSTI]

    Raphael Lefevere; Mauro Mariani; Lorenzo Zambotti

    2011-01-18T23:59:59.000Z

    We consider the thermodynamic potential describing the macroscopic fluctuation of the current and local energy of a general class of Hamiltonian models including aerogels. We argue that this potential is neither analytic nor strictly convex, a property that should be expected in general but missing from models studied in the literature. This opens the possibility of describing in terms of a thermodynamic potential non-equilibrium phase transitions in a concrete physical context. This special behaviour of the thermodynamic potential is caused by the fact that the energy current is carried by particles which may have arbitrary low speed with sufficiently large probability.

  5. Analysis of single particle trajectories: when things go wrong

    E-Print Network [OSTI]

    D. Holcman; N. Hoze; Z. Schuss

    2015-02-01T23:59:59.000Z

    To recover the long-time behavior and the statistics of molecular trajectories from the large number (tens of thousands) of their short fragments, obtained by super-resolution methods at the single molecule level, data analysis based on a stochastic model of their non-equilibrium motion is required. Recently, we characterized the local biophysical properties underlying receptor motion based on coarse-grained long-range interactions, corresponding to attracting potential wells of large sizes. The purpose of this letter is to discuss optimal estimators and show what happens when thing goes wrong.

  6. Mid infrared optical properties of Ge/Si quantum dots with different doping level

    SciTech Connect (OSTI)

    Sofronov, A. N.; Firsov, D. A.; Vorobjev, L. E.; Shalygin, V. A.; Panevin, V. Yu.; Vinnichenko, M. Ya. [St. Petersburg State Polytechnic University, Polytechnicheskaya str. 29, St. Petersburg (Russian Federation); Tonkikh, A. A. [Max Planck Institute of Microstructure Physics, Weinberg 2 D-06120, Halle (Saale) (Germany); Danilov, S. N. [University of Regensburg, Regensburg (Germany)

    2013-12-04T23:59:59.000Z

    Optical characterization of the Ge/Si quantum dots using equilibrium and photo-induced absorption spectroscopy in the mid-infrared spectral range was performed in this work. Equilibrium absorption spectra were measured in structures with various doping levels for different light polarizations. Photo-induced absorption spectra measured in undoped structure under interband optical excitation of non-equilibrium charge carriers demonstrate the same features as doped sample in equilibrium conditions. Hole energy spectrum was determined from the analysis of experimental data.

  7. Multiple-relaxation-time lattice Boltzmann kinetic model for combustion

    E-Print Network [OSTI]

    Xu, Aiguo; Zhang, Guangcai; Li, Yingjun

    2014-01-01T23:59:59.000Z

    To probe both the Mechanical Non-Equilibrium (MNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion procedure, a two-dimensional Multiple-Relaxation-Time (MRT) version of the Lattice Boltzmann Kinetic Model(LBKM) for combustion phenomena is presented. The chemical energy released in the progress of combustion is dynamically coupled into the system by adding a chemical term to the LB kinetic equation. The LB model is required to recover the Navier-Stokes equations with chemical reaction in the hydrodynamic limit. To that aim, we construct a discrete velocity model with $24$ velocities divided into $3$ groups. In each group a flexible parameter is used to control the size of discrete velocities and a second parameter is used to describe the contribution of the extra degrees of freedom. The current model works for both subsonic and supersonic flows with or without chemical reaction. In this model both the specific-heat ratio and the Prandtl number are flexible, the TNE effects are naturally presented in...

  8. Nonuniqueness of two-temperature Guldberg-Waage and Saha equations: Influence on thermophysical properties of SF{sub 6} plasmas

    SciTech Connect (OSTI)

    Wang, Weizong [Qian Xuesen Laboratory of Space Technology, China Academy of Space Technology, Beijing 100094 (China) [Qian Xuesen Laboratory of Space Technology, China Academy of Space Technology, Beijing 100094 (China); State Key Laboratory of Electrical Insulation and Power Equipment, Xi'an Jiaotong University, Xi'an, Shaanxi 710049 (China); Rong, Mingzhe [State Key Laboratory of Electrical Insulation and Power Equipment, Xi'an Jiaotong University, Xi'an, Shaanxi 710049 (China)] [State Key Laboratory of Electrical Insulation and Power Equipment, Xi'an Jiaotong University, Xi'an, Shaanxi 710049 (China); Spencer, Joseph W. [Department of Electrical Engineering and Electronics, The University of Liverpool, Brownlow Hill, Liverpool L69 3GJ (United Kingdom)] [Department of Electrical Engineering and Electronics, The University of Liverpool, Brownlow Hill, Liverpool L69 3GJ (United Kingdom)

    2013-11-15T23:59:59.000Z

    This paper focuses to study how the choice of Guldberg-Waage and Saha equations affects the thermodynamic properties and transport coefficients of SF{sub 6} plasmas under both thermal equilibrium and non-equilibrium conditions. The species composition is numerically determined using two typical forms of two-temperature Saha equations and Guldberg-Waage equations that have appeared in the literature. The great influence of the choice of the excitation temperature on the plasma composition and hence the thermodynamic properties and transport coefficients is discussed as well. Transport coefficients are calculated with most recent collision interaction potentials by adopting Devoto's electron and heavy particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) within the framework of Chapman-Enskog method. Furthermore, an analysis of the effect of different definitions of Debye length on the properties values was performed as well. The results are computed for various values of pressures from 0.10 atm to 10 atm and non-equilibrium parameter, i.e., ratio of the electron temperature to the heavy particle temperature from 1 to 5 with electron temperature range from 300 to 40 000 K. Both forms of Guldberg-Waage and Saha equations used here can give completely the same value when the two-temperature model reaches the special case of local thermodynamic equilibrium. It has been observed that all above mentioned factors can significantly modify the plasma species composition and consequently affect the thermodynamic and transport properties.

  9. Modeling Degradation in Solid Oxide Electrolysis Cells - Volume II

    SciTech Connect (OSTI)

    Manohar Motwani

    2011-09-01T23:59:59.000Z

    Idaho National Laboratory has an ongoing project to generate hydrogen from steam using solid oxide electrolysis cells (SOECs). To accomplish this, technical and degradation issues associated with the SOECs will need to be addressed. This report covers various approaches being pursued to model degradation issues in SOECs. An electrochemical model for degradation of SOECs is presented. The model is based on concepts in local thermodynamic equilibrium in systems otherwise in global thermodynamic non-equilibrium. It is shown that electronic conduction through the electrolyte, however small, must be taken into account for determining local oxygen chemical potential,, within the electrolyte. The within the electrolyte may lie out of bounds in relation to values at the electrodes in the electrolyzer mode. Under certain conditions, high pressures can develop in the electrolyte just near the oxygen electrode/electrolyte interface, leading to oxygen electrode delamination. These predictions are in accordance with the reported literature on the subject. Development of high pressures may be avoided by introducing some electronic conduction in the electrolyte. By combining equilibrium thermodynamics, non-equilibrium (diffusion) modeling, and first-principles, atomic scale calculations were performed to understand the degradation mechanisms and provide practical recommendations on how to inhibit and/or completely mitigate them.

  10. Can Natural Sunlight Induce Coherent Exciton Dynamics?

    E-Print Network [OSTI]

    Jan Olšina; Arend G. Dijkstra; Chen Wang; Jianshu Cao

    2014-08-21T23:59:59.000Z

    Excitation of a model photosynthetic molecular aggregate by incoherent sunlight is systematically examined. For a closed system, the excited state coherence induced by the sunlight oscillates with an average amplitude that is inversely proportional to the excitonic gap, and reaches a stationary amplitude that depends on the temperature and coherence time of the radiation field. For an open system, the light-induced dynamical coherence relaxes to a static coherence determined by the non-canonical thermal distribution resulting from the entanglement with the phonon bath. The decay of the excited state population to the common ground state establishes a non-equilibrium steady-state flux driven by the sunlight, and it defines a time window to observe the transition from dynamical to static coherence. For the parameters relevant to photosynthetic systems, the exciton dynamics initiated by the sunlight exhibits a non-negligible amount of dynamical coherence (quantum beats) on the sub-picosecond timescale; however, this sub-picosecond time-scale is long enough for light-harvesting systems to establish static coherence, which plays a crucial role in efficient energy transfer. Further, a relationship is established between the non-equilibrium steady-state induced by the sunlight and the coherent dynamics initiated from the ground state by a laser $\\delta$-pulse, thereby making a direct connection between incoherent sunlight excitation and ultrafast spectroscopy.

  11. Unified single-photon and single-electron counting statistics: from cavity-QED to electron transport

    E-Print Network [OSTI]

    Lambert, Neill; Nori, Franco

    2010-01-01T23:59:59.000Z

    A key ingredient of cavity quantum-electrodynamics (QED) is the coupling between the discrete energy levels of an atom and photons in a single-mode cavity. The addition of periodic ultra-short laser pulses allows one to use such a system as a source of single photons; a vital ingredient in quantum information and optical computing schemes. Here, we analyze and ``time-adjust'' the photon-counting statistics of such a single-photon source, and show that the photon statistics can be described by a simple `transport-like' non-equilibrium model. We then show that there is a one-to-one correspondence of this model to that of non-equilibrium transport of electrons through a double quantum dot nanostructure. Then we prove that the statistics of the tunnelling electrons is equivalent to the statistics of the emitted photons. This represents a unification of the fields of photon counting statistics and electron transport statistics. This correspondence empowers us to adapt several tools previously used for detecting qu...

  12. Efficiency bounds for nonequilibrium heat engines

    E-Print Network [OSTI]

    Pankaj Mehta; Anatoli Polkovnikov

    2013-01-22T23:59:59.000Z

    We analyze the efficiency of thermal engines (either quantum or classical) working with a single heat reservoir like atmosphere. The engine first gets an energy intake, which can be done in arbitrary non-equilibrium way e.g. combustion of fuel. Then the engine performs the work and returns to the initial state. We distinguish two general classes of engines where the working body first equilibrates within itself and then performs the work (ergodic engine) or when it performs the work before equilibrating (non-ergodic engine). We show that in both cases the second law of thermodynamics limits their efficiency. For ergodic engines we find a rigorous upper bound for the efficiency, which is strictly smaller than the equivalent Carnot efficiency. I.e. the Carnot efficiency can be never achieved in single reservoir heat engines. For non-ergodic engines the efficiency can be higher and can exceed the equilibrium Carnot bound. By extending the fundamental thermodynamic relation to nonequilibrium processes, we find a rigorous thermodynamic bound for the efficiency of both ergodic and non-ergodic engines and show that it is given by the relative entropy of the non-equilibrium and initial equilibrium distributions.These results suggest a new general strategy for designing more efficient engines. We illustrate our ideas by using simple examples.

  13. Exploring the quantum critical behaviour in a driven Tavis-Cummings circuit

    E-Print Network [OSTI]

    M. Feng; Y. P. Zhong; T. Liu; L. L. Yan; W. L. Yang; J. Twamley; H. Wang

    2015-05-25T23:59:59.000Z

    Quantum phase transitions play an important role in many-body systems and have been a research focus in conventional condensed matter physics over the past few decades. Artificial atoms, such as superconducting qubits that can be individually manipulated, provide a new paradigm of realising and exploring quantum phase transitions by engineering an on-chip quantum simulator. Here we demonstrate experimentally the quantum critical behaviour in a highly-controllable superconducting circuit, consisting of four qubits coupled to a common resonator mode. By off-resonantly driving the system to renormalise the critical spin-field coupling strength, we have observed a four-qubit non-equilibrium quantum phase transition in a dynamical manner, i.e., we sweep the critical coupling strength over time and monitor the four-qubit scaled moments for a signature of a structural change of the system's eigenstates. Our observation of the non-equilibrium quantum phase transition, which is in good agreement with the driven Tavis-Cummings theory under decoherence, offers new experimental approaches towards exploring quantum phase transition related science, such as scaling behaviours, parity breaking and long-range quantum correlations.

  14. Phase Transition and dissipation driven budding in lipid vesicles

    E-Print Network [OSTI]

    Thomas Franke; Christian T. Leirer; Achim Wixforth; Nily Dan; Matthias F. Schneider

    2013-03-26T23:59:59.000Z

    Membrane budding has been extensively studied as an equilibrium process attributed to the formation of coexisting domains or changes in the vesicle area to volume ratio (reduced volume). In contrast, non-equilibrium budding remains experimentally widely unexplored especially when time scales fall well below the characteristic diffusion time of lipids{\\tau} . We show that localized mechanical perturbations, initiated by driving giant unilamellar vesicles (GUVs) through their lipid phase transition, leads to the immediate formation of rapidly growing, multiply localized, non-equilibrium buds, when the transition takes place at short timescales (<{\\tau}). We show that these buds arise from small fluid-like perturbations and grow as spherical caps in the third dimension, since in plane spreading is obstructed by the continuous rigid gel-like matrix. Accounting for both three and two dimensional viscosity, we demonstrate that dissipation decreases the size scale of the system and therefore favours the formation of multiple buds as long as the perturbation takes place above a certain critical rate. This rate depends on membrane and media viscosity and is qualitatively and quantitatively correctly predicted by our theoretical description.

  15. Experimental observation of a phase transition in the evolution of many-body systems with dipolar interactions

    E-Print Network [OSTI]

    Gonzalo A. Alvarez; Dieter Suter; Robin Kaiser

    2014-09-16T23:59:59.000Z

    Non-equilibrium dynamics of many-body systems is important in many branches of science, such as condensed matter, quantum chemistry, and ultracold atoms. Here we report the experimental observation of a phase transition of the quantum coherent dynamics of a 3D many-spin system with dipolar interactions, and determine its critical exponents. Using nuclear magnetic resonance (NMR) on a solid-state system of spins at room-temperature, we quench the interaction Hamiltonian to drive the evolution of the system. The resulting dynamics of the system coherence can be localized or extended, depending on the quench strength. Applying a finite-time scaling analysis to the observed time-evolution of the number of correlated spins, we extract the critical exponents v = s = 0.42 around the phase transition separating a localized from a delocalized dynamical regime. These results show clearly that such nuclear-spin based quantum simulations can effectively model the non-equilibrium dynamics of complex many-body systems, such as 3D spin-networks with dipolar interactions.

  16. Unified single-photon and single-electron counting statistics: from cavity-QED to electron transport

    E-Print Network [OSTI]

    Neill Lambert; Yueh-Nan Chen; Franco Nori

    2010-08-26T23:59:59.000Z

    A key ingredient of cavity quantum-electrodynamics (QED) is the coupling between the discrete energy levels of an atom and photons in a single-mode cavity. The addition of periodic ultra-short laser pulses allows one to use such a system as a source of single photons; a vital ingredient in quantum information and optical computing schemes. Here, we analyze and ``time-adjust'' the photon-counting statistics of such a single-photon source, and show that the photon statistics can be described by a simple `transport-like' non-equilibrium model. We then show that there is a one-to-one correspondence of this model to that of non-equilibrium transport of electrons through a double quantum dot nanostructure. Then we prove that the statistics of the tunnelling electrons is equivalent to the statistics of the emitted photons. This represents a unification of the fields of photon counting statistics and electron transport statistics. This correspondence empowers us to adapt several tools previously used for detecting quantum behavior in electron transport systems (e.g., super-Poissonian shot noise, and an extension of the Leggett-Garg inequality) to single-photon-source experiments.

  17. The fundamental role of quantized vibrations in coherent light harvesting by cryptophyte algae

    E-Print Network [OSTI]

    Avinash Kolli; Edward J. O'Reilly; Gregory D. Scholes; Alexandra Olaya-Castro

    2012-10-10T23:59:59.000Z

    The influence of fast vibrations on energy transfer and conversion in natural molecular aggregates is an issue of central interest. This article shows the important role of high-energy quantized vibrations and their non-equilibrium dynamics for energy transfer in photosynthetic systems with highly localized excitonic states. We consider the cryptophyte antennae protein phycoerythrin 545 and show that coupling to quantized vibrations which are quasi-resonant with excitonic transitions is fundamental for biological function as it generates non-cascaded transport with rapid and wider spatial distribution of excitation energy. Our work also indicates that the non-equilibrium dynamics of such vibrations can manifest itself in ultrafast beating of both excitonic populations and coherences at room temperature, with time scales in agreement with those reported in experiments. Moreover, we show that mechanisms supporting coherent excitonic dynamics assist coupling to selected modes that channel energy to preferential sites in the complex. We therefore argue that, in the presence of strong coupling between electronic excitations and quantized vibrations, a concrete and important advantage of quantum coherent dynamics is precisely to tune resonances that promote fast and effective energy distribution.

  18. The electron distribution function downstream of the solar-wind termination shock: Where are the hot electrons?

    E-Print Network [OSTI]

    Fahr, Hans J; Verscharen, Daniel

    2015-01-01T23:59:59.000Z

    In the majority of the literature on plasma shock waves until now, electrons have played the role of "ghost particles," since they contribute to mass- and momentum flows only negligibly and have been treated as taking care of the electric plasma neutrality. In some more recent papers, however, electrons play a new important role in the shock dynamics and thermodynamics, especially at the solar-wind termination shock. They react on the shock electric field in a very specific way, leading to suprathermal non-equilibrium distributions of the downstream electrons that can be represented by a kappa distribution function. In this article, we discuss why these anticipated hot electron population has not been seen by the plasma detectors of the Voyager spacecraft downstream of the solar-wind termination shock. We show that hot non-equilibrium electrons induce a strong negative electric charge-up of any spacecraft cruising through this downstream plasma environment. This charge reduces electron fluxes at the spacecraf...

  19. The Free Energy of Hot Gauge Theories with Fermions Through g^5

    E-Print Network [OSTI]

    Chengxing Zhai; Boris Kastening

    1995-11-09T23:59:59.000Z

    We compute the free energy density $F$ for gauge theories, with fermions, at high temperature and zero chemical potential. In the expansion $F=T^4 [c_0+c_2 g^2+c_3 g^3+(c'_4\\ln g+c_4)g^4+ (c'_5\\ln g+c_5)g^5+O(g^6)]$, we determine $c'_5$ and $c_5$ analytically by calculating two- and three-loop diagrams. The $g^5$ term constitutes the first correction to the $g^3$ term and is for the non-Abelian case the last power of $g$ that can be computed within perturbation theory. We find that the $g^5$ term receives no contributions from overlapping double-frequency sums and that $c'_5$ vanishes.

  20. UHM/HNEI EV test and evaluation program

    SciTech Connect (OSTI)

    Not Available

    1992-03-01T23:59:59.000Z

    The electric vehicle (EV) program of the Hawaii Natural Energy Institute (HNEI) focuses primarily on the field testing of promising EV/traction batteries. The intent is to utilize typical driving cycles to develop information that verifies or refutes what is obtained in the laboratory. Three different types of battery were assigned by the US DOE for testing in this program: Sonnenschein Dryfit 6V-160, Exide GC-5, Trojan T-145. We added the following battery to the test program: ALCO2200. HNEI's existing EVs were utilized as test beds. The following EVs were chosen in our program: Converted Ford Escort station wagon, Converted Ford Escort two-door sedan, Converted Ford Escort two-door sedan, Converted Dodge van (typically daily driving distances, 10--30 miles). Capacity testing is a very effective way of monitoring the status of battery modules. Based on capacity tests, corrective action such as battery replacement, additional charging, adjusting terminal connections, etc., may be taken to maintain good performance. About 15,500 miles and 600 cycles have been accumulated on the Sonnenschein Dryfit 6V-160 battery pack. Five of its 18 modules have been changed. Based on DOE's standard, the battery has reached the end of its useful life. Nevertheless, the battery pack is still operational and its operating range is still greater than 40 miles per charge. It is too early to evaluate the life expectancy of the other three batteries, the Trojan T-145, Exide GC-5, and Alco 2200. No module has been replaced in these three packs. The Trojan T-145 battery is a very promising EV traction battery in terms of quality and reliability versus price. HNEI will keep the Trojan and Exide battery packs in operation. The Alco 2200 batteries will be transferred to another vehicle. The Additional Charging Method seems to be an effective way of restoring weak modules. The Smart Voltmeter'' developed by HNEI is a promising way of monitoring the remaining range for an EV.

  1. Plastic flow modeling in glassy polymers

    SciTech Connect (OSTI)

    Clements, Brad [Los Alamos National Laboratory

    2010-12-13T23:59:59.000Z

    Glassy amorphous and semi-crystalline polymers exhibit strong rate, temperature, and pressure dependent polymeric yield. As a rule of thumb, in uniaxial compression experiments the yield stress increases with the loading rate and applied pressure, and decreases as the temperature increases. Moreover, by varying the loading state itself complex yield behavior can be observed. One example that illustrates this complexity is that most polymers in their glassy regimes (i.e., when the temperature is below their characteristic glass transition temperature) exhibit very pronounced yield in their uniaxial stress stress-strain response but very nebulous yield in their uniaxial strain response. In uniaxial compression, a prototypical glassy-polymer stress-strain curve has a stress plateau, often followed by softening, and upon further straining, a hardening response. Uniaxial compression experiments of this type are typically done from rates of 10{sup -5} s{sup -1} up to about 1 s{sup -1}. At still higher rates, say at several thousands per second as determined from Split Hopkinson Pressure Bar experiments, the yield can again be measured and is consistent with the above rule of thumb. One might expect that that these two sets of experiments should allow for a successful extrapolation to yet higher rates. A standard means to probe high rates (on the order of 105-107 S-I) is to use a uniaxial strain plate impact experiment. It is well known that in plate impact experiments on metals that the yield stress is manifested in a well-defined Hugoniot Elastic Limit (HEL). In contrast however, when plate impact experiments are done on glassy polymers, the HEL is arguably not observed, let alone observed at the stress estimated by extrapolating from the lower strain rate experiments. One might argue that polymer yield is still active but somehow masked by the experiment. After reviewing relevant experiments, we attempt to address this issue. We begin by first presenting our recently developed glassy polymer model. While polymers are well known for their non-equilibrium deviatoric behavior we have found the need for incorporating both equilibrium and non-equilibrium volumetric behavior into our theory. Experimental evidence supporting the notion of non-equilibrium volumetric behavior will be summarized. Our polymer yield model accurately captures the stress plateau, softening and hardening and its yield stress predictions agree well with measured values for several glassy polymers including PMMA, PC, and an epoxy resin. We then apply our theory to plate impact experiments in an attempt to address the questions associated with high rate polymer yield in uniaxial strain configurations.

  2. A high-order harmonic generation apparatus for time- and angle-resolved photoelectron spectroscopy

    SciTech Connect (OSTI)

    Frietsch, B.; Gahl, C.; Teichmann, M.; Weinelt, M. [Freie Universität Berlin, Arnimallee 14, 14195 Berlin (Germany)] [Freie Universität Berlin, Arnimallee 14, 14195 Berlin (Germany); Carley, R. [Freie Universität Berlin, Arnimallee 14, 14195 Berlin (Germany) [Freie Universität Berlin, Arnimallee 14, 14195 Berlin (Germany); Max-Born-Institut, Max-Born-Str. 2a, 12489 Berlin (Germany); Döbrich, K. [Max-Born-Institut, Max-Born-Str. 2a, 12489 Berlin (Germany)] [Max-Born-Institut, Max-Born-Str. 2a, 12489 Berlin (Germany); Schwarzkopf, O.; Wernet, Ph. [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Str. 15, 12489 Berlin (Germany)] [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Str. 15, 12489 Berlin (Germany)

    2013-07-15T23:59:59.000Z

    We present a table top setup for time- and angle-resolved photoelectron spectroscopy to investigate band structure dynamics of correlated materials driven far from equilibrium by femtosecond laser pulse excitation. With the electron-phonon equilibration time being in the order of 1–2 ps it is necessary to achieve sub-picosecond time resolution. Few techniques provide both the necessary time and energy resolution to map non-equilibrium states of the band structure. Laser-driven high-order harmonic generation is such a technique. In our experiment, a grating monochromator delivers tunable photon energies up to 40 eV. A photon energy bandwidth of 150 meV and a pulse duration of 100 fs FWHM allow us to cover the k-space necessary to map valence bands at different k{sub z} and detect outer core states.

  3. Three-state majority-vote model on square lattice

    E-Print Network [OSTI]

    Lima, F W S

    2011-01-01T23:59:59.000Z

    Here, the model of non-equilibrium model with two states ($-1,+1$) and a noise $q$ on simple square lattices proposed for M.J. Oliveira (1992) following the conjecture of up-down symmetry of Grinstein and colleagues (1985) is studied and generalized. This model is well-known, today, as Majority-Vote Model. They showed, through Monte Carlo simulations, that their obtained results fall into the universality class of the equilibrium Ising model on a square lattice. In this work, we generalize the Majority-Vote Model for a version with three states, now including the zero state, ($-1,0,+1$) in two dimensions. Using Monte Carlo simulations, we showed that our model falls into the universality class of the spin-1 ($-1,0,+1$) and spin-1/2 Ising model and also agree with Majority-Vote Model proposed for M.J. Oliveira (1992) . The exponents ratio obtained for our model was $\\gamma/\

  4. An improved Monte Carlo study of coherent scattering effects of low energy charged particle transport in Percus-Yevick liquids

    E-Print Network [OSTI]

    Tattersall, W J; Boyle, G J; White, R D

    2015-01-01T23:59:59.000Z

    We generalize a simple Monte Carlo (MC) model for dilute gases to consider the transport behavior of positrons and electrons in Percus-Yevick model liquids under highly non-equilibrium conditions, accounting rigorously for coherent scattering processes. The procedure extends an existing technique [Wojcik and Tachiya, Chem. Phys. Lett. 363, 3--4 (1992)], using the static structure factor to account for the altered anisotropy of coherent scattering in structured material. We identify the effects of the approximation used in the original method, and develop a modified method that does not require that approximation. We also present an enhanced MC technique that has been designed to improve the accuracy and flexibility of simulations in spatially-varying electric fields. All of the results are found to be in excellent agreement with an independent multi-term Boltzmann equation solution, providing benchmarks for future transport models in liquids and structured systems.

  5. Matrix product states for gauge field theories

    E-Print Network [OSTI]

    Boye Buyens; Jutho Haegeman; Karel Van Acoleyen; Henri Verschelde; Frank Verstraete

    2014-11-03T23:59:59.000Z

    The matrix product state formalism is used to simulate Hamiltonian lattice gauge theories. To this end, we define matrix product state manifolds which are manifestly gauge invariant. As an application, we study 1+1 dimensional one flavour quantum electrodynamics, also known as the massive Schwinger model, and are able to determine very accurately the ground state properties and elementary one-particle excitations in the continuum limit. In particular, a novel particle excitation in the form of a heavy vector boson is uncovered, compatible with the strong coupling expansion in the continuum. We also study non-equilibrium dynamics by simulating the real-time evolution of the system induced by a quench in the form of a uniform background electric field.

  6. Supporting Kibble-Zurek Mechanism in Quantum Ising Model through a Trapped Ion

    E-Print Network [OSTI]

    Jin-Ming Cui; Yun-Feng Huang; Zhao Wang; Dong-Yang Cao; Jian Wang; Wei-Min Lv; Yong Lu; Le Luo; Adolfo del Campo; Yong-Jian Han; Chuan-Feng Li; Guang-Can Guo

    2015-05-21T23:59:59.000Z

    Progress in quantum simulation has fostered the research on far-from-equilibrium dynamics. The Kibble-Zurek mechanism is the paradigmatic framework to account for the non adiabatic critical dynamics of a system driven across a phase transition in a finite time. Its study in the quantum regime is hindered by the requisite of ground state cooling. We report the experimental quantum simulation of critical dynamics in the transverse-field Ising model by a set of non-equilibrium processes in the pseudo-momentum space, that can be probed with high accuracy using a single trapped ion. Our results support the validity of the Kibble-Zurek mechanism in the quantum regime and advance the quantum simulation of critical systems far-away from equilibrium.

  7. GMC Collisions as Triggers of Star Formation. I. Parameter Space Exploration with 2D Simulations

    E-Print Network [OSTI]

    Wu, Benjamin; Tan, Jonathan C; Bruderer, Simon

    2015-01-01T23:59:59.000Z

    We utilize magnetohydrodynamic (MHD) simulations to develop a numerical model for GMC-GMC collisions between nearly magnetically critical clouds. The goal is to determine if, and under what circumstances, cloud collisions can cause pre-existing magnetically subcritical clumps to become supercritical and undergo gravitational collapse. We first develop and implement new photodissociation region (PDR) based heating and cooling functions that span the atomic to molecular transition, creating a multiphase ISM and allowing modeling of non-equilibrium temperature structures. Then in 2D and with ideal MHD, we explore a wide parameter space of magnetic field strength, magnetic field geometry, collision velocity, and impact parameter, and compare isolated versus colliding clouds. We find factors of ~2-3 increase in mean clump density from typical collisions, with strong dependence on collision velocity and magnetic field strength, but ultimately limited by flux-freezing in 2D geometries. For geometries enabling flow a...

  8. Large linear magnetoresistance in a GaAs/AlGaAs heterostructure

    SciTech Connect (OSTI)

    Aamir, Mohammed Ali, E-mail: aamir@physics.iisc.ernet.in; Goswami, Srijit, E-mail: aamir@physics.iisc.ernet.in; Ghosh, Arindam [Department of Physics, Indian Institute of Science, Bangalore 560 012 (India); Baenninger, Matthias; Farrer, Ian; Ritchie, David A. [Cavendish Laboratory, University of Cambridge, J.J. Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Tripathi, Vikram [Department of Theoretical Physics, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India); Pepper, Michael [Department of Electrical and Electronic Engineering, University College, London WC1E 7JE (United Kingdom)

    2013-12-04T23:59:59.000Z

    We report non-saturating linear magnetoresistance (MR) in a two-dimensional electron system (2DES) at a GaAs/AlGaAs heterointerface in the strongly insulating regime. We achieve this by driving the gate voltage below the pinch-off point of the device and operating it in the non-equilibrium regime with high source-drain bias. Remarkably, the magnitude of MR is as large as 500% per Tesla with respect to resistance at zero magnetic field, thus dwarfing most non-magnetic materials which exhibit this linearity. Its primary advantage over most other materials is that both linearity and the enormous magnitude are retained over a broad temperature range (0.3 K to 10 K), thus making it an attractive candidate for cryogenic sensor applications.

  9. Building a Road from Light to Energy

    SciTech Connect (OSTI)

    Li, Anton; Bilby, David; Barito, Adam; Vyletel, Brenda

    2013-07-18T23:59:59.000Z

    Representing the Center for Solar and Thermal Energy Conversion (CSTEC), this document is one of the entries in the Ten Hundred and One Word Challenge. As part of the challenge, the 46 Energy Frontier Research Centers were invited to represent their science in images, cartoons, photos, words and original paintings, but any descriptions or words could only use the 1000 most commonly used words in the English language, with the addition of one word important to each of the EFRCs and the mission of DOE energy. The mission of the Center for Solar and Thermal Energy Conversion (CSTEC) is to design and to synthesize new materials for high efficiency photovoltaic (PV) and thermoelectric (TE) devices, predicated on new fundamental insights into equilibrium and non-equilibrium processes, including quantum phenomena, that occur in materials over various spatial and temporal scales.

  10. Semianalytical quantum model for graphene field-effect transistors

    SciTech Connect (OSTI)

    Pugnaghi, Claudio; Grassi, Roberto, E-mail: roberto.grassi@unibo.it; Gnudi, Antonio; Di Lecce, Valerio; Gnani, Elena; Reggiani, Susanna; Baccarani, Giorgio [ARCES and DEI, University of Bologna, Viale Risorgimento 2, 40136 Bologna (Italy)

    2014-09-21T23:59:59.000Z

    We develop a semianalytical model for monolayer graphene field-effect transistors in the ballistic limit. Two types of devices are considered: in the first device, the source and drain regions are doped by charge transfer with Schottky contacts, while, in the second device, the source and drain regions are doped electrostatically by a back gate. The model captures two important effects that influence the operation of both devices: (i) the finite density of states in the source and drain regions, which limits the number of states available for transport and can be responsible for negative output differential resistance effects, and (ii) quantum tunneling across the potential steps at the source-channel and drain-channel interfaces. By comparison with a self-consistent non-equilibrium Green's function solver, we show that our model provides very accurate results for both types of devices, in the bias region of quasi-saturation as well as in that of negative differential resistance.

  11. Resonant Relaxation in Electroweak Baryogenesis

    E-Print Network [OSTI]

    Christopher Lee; Vincenzo Cirigliano; Michael J. Ramsey-Musolf

    2004-12-23T23:59:59.000Z

    We compute the leading, chiral charge-changing relaxation term in the quantum transport equations that govern electroweak baryogenesis using the closed time path formulation of non-equilibrium quantum field theory. We show that the relaxation transport coefficients may be resonantly enhanced under appropriate conditions on electroweak model parameters and that such enhancements can mitigate the impact of similar enhancements in the CP-violating source terms. We also develop a power counting in the time and energy scales entering electroweak baryogenesis and include effects through second order in ratios $\\epsilon$ of the small and large scales. We illustrate the implications of the resonantly enhanced ${\\cal O}(\\epsilon^2)$ terms using the Minimal Supersymmetric Standard Model, focusing on the interplay between the requirements of baryogenesis and constraints obtained from collider studies, precision electroweak data, and electric dipole moment searches.

  12. Crystal growth kinetics in Lennard-Jones and Weeks-Chandler-Andersen systems along the solid-liquid coexistence line

    E-Print Network [OSTI]

    Benjamin, Ronald

    2015-01-01T23:59:59.000Z

    Kinetics of crystal-growth is investigated along the solid-liquid coexistence line for the (100), (110) and (111) orientations of the Lennard-Jones and Weeks-Chandler-Andersen fcc crystal-liquid interface, using non-equilibrium molecular dynamics simulations. A slowing down of the growth kinetics along the coexistence line is observed, which is mostly a temperature effect, with other quantities such as the melting pressure and liquid self-diffusion coefficient having a negligible impact. The growth kinetics of the two potentials become similar at large values of the melting temperature and pressure, when both resemble a purely repulsive soft-sphere potential. Classical models of crystallization from the melt are in reasonable qualitative agreement with our simulation data. Finally, several one-phase empirical melting/freezing rules are studied with respect to their validity along the coexistence line.

  13. N-type doping of Ge by As implantation and excimer laser annealing

    SciTech Connect (OSTI)

    Milazzo, R.; Napolitani, E., E-mail: enrico.napolitani@unipd.it; De Salvador, D.; Mastromatteo, M.; Carnera, A. [CNR-IMM MATIS and Dipartimento di Fisica Astronomia, Università di Padova, Via Marzolo 8, 35131 Padova (Italy); Impellizzeri, G.; Boninelli, S.; Priolo, F.; Privitera, V. [CNR-IMM MATIS and Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia 64, 95123 Catania (Italy); Fisicaro, G.; Italia, M.; La Magna, A. [CNR-IMM, Z.I. VIII Strada 5, 95121 Catania (Italy); Cuscunà, M.; Fortunato, G. [CNR-IMM, Via del Fosso del Cavaliere 100, 00133 Roma (Italy)

    2014-02-07T23:59:59.000Z

    The diffusion and activation of arsenic implanted into germanium at 40?keV with maximum concentrations below and above the solid solubility (8?×?10{sup 19}?cm{sup ?3}) have been studied, both experimentally and theoretically, after excimer laser annealing (??=?308?nm) in the melting regime with different laser energy densities and single or multiple pulses. Arsenic is observed to diffuse similarly for different fluences with no out-diffusion and no formation of pile-up at the maximum melt depth. The diffusion profiles have been satisfactorily simulated by assuming two diffusivity states of As in the molten Ge and a non-equilibrium segregation at the maximum melt depth. The electrical activation is partial and decreases with increasing the chemical concentration with a saturation of the active concentration at 1?×?10{sup 20}?cm{sup ?3}, which represents a new record for the As-doped Ge system.

  14. Observation of crystallization slowdown in supercooled para-hydrogen and ortho-deuterium quantum liquid mixtures

    E-Print Network [OSTI]

    Matthias Kühnel; José M. Fernández; Filippo Tramonto; Guzmán Tejeda; Elena Moreno; Anton Kalinin; Marco Nava; Davide E. Galli; Salvador Montero; Robert E. Grisenti

    2014-10-10T23:59:59.000Z

    We report a quantitative experimental study of the crystallization kinetics of supercooled quantum liquid mixtures of para-hydrogen (pH$_2$) and ortho-deuterium (oD$_2$) by high spatial resolution Raman spectroscopy of liquid microjets. We show that in a wide range of compositions the crystallization rate of the isotopic mixtures is significantly reduced with respect to that of the pure substances. To clarify this behavior we have performed path-integral simulations of the non-equilibrium pH$_2$-oD$_2$ liquid mixtures, revealing that differences in quantum delocalization between the two isotopic species translate into different effective particle sizes. Our results provide first experimental evidence for crystallization slowdown of quantum origin, offering a benchmark for theoretical studies of quantum behavior in supercooled liquids.

  15. Rectification induced in N{sub 2}{sup AA}-doped armchair graphene nanoribbon device

    SciTech Connect (OSTI)

    Chen, Tong; Wang, Ling-Ling, E-mail: llwang@hnu.edu.cn; Luo, Kai-Wu; Xu, Liang [School of Physics and Microelectronic and Key Laboratory for Micro-Nano Physics and Technology of Hunan Province, Hunan University, Changsha 410082 (China); Li, Xiao-Fei, E-mail: xfli@hnu.edu.cn [School of Physics and Microelectronic and Key Laboratory for Micro-Nano Physics and Technology of Hunan Province, Hunan University, Changsha 410082 (China); Department of Electrical and Information Engineering, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2014-07-07T23:59:59.000Z

    By using non-equilibrium Green function formalism in combination with density functional theory, we investigated the electronic transport properties of armchair graphene nanoribbon devices in which one lead is undoped and the other is N{sub 2}{sup AA}-doped with two quasi-adjacent substitutional nitrogen atoms incorporating pairs of neighboring carbon atoms in the same sublattice A. Two kinds of N{sub 2}{sup AA}-doped style are considered, for N dopants substitute the center or the edge carbon atoms. Our results show that the rectification behavior with a large rectifying ratio can be found in these devices and the rectifying characteristics can be modulated by changing the width of graphene nanoribbons or the position of the N{sub 2}{sup AA} dopant. The mechanisms are revealed to explain the rectifying behaviors.

  16. A Green's function formalism of energy and momentum transfer in fluctuational electrodynamics

    E-Print Network [OSTI]

    Arvind Narayanaswamy; Yi Zheng

    2013-02-03T23:59:59.000Z

    Radiative energy and momentum transfer due to fluctuations of electromagnetic fields arising due to temperature difference between objects is described in terms of the cross-spectral densities of the electromagnetic fields. We derive relations between thermal non-equilibrium contributions to energy and momentum transfer and surface integrals of tangential components of the dyadic Green's functions of the vector Helmholtz equation. The expressions derived here are applicable to objects of arbitrary shapes, dielectric functions, as well as magnetic permeabilities. For the case of radiative transfer, we derive expressions for the generalized transmissivity and generalized conductance that are shown to obey reciprocity and agree with theory of black body radiative transfer in the appropriate limit.

  17. Friction forces on phase transition fronts

    E-Print Network [OSTI]

    Ariel Megevand

    2013-03-31T23:59:59.000Z

    In cosmological first-order phase transitions, the microscopic interaction of the phase transition fronts with non-equilibrium plasma particles manifests itself macroscopically as friction forces. In general, it is a nontrivial problem to compute these forces, and only two limits have been studied, namely, that of very slow walls and, more recently, ultra-relativistic walls which run away. In this paper we consider ultra-relativistic velocities and show that stationary solutions still exist when the parameters allow the existence of runaway walls. Hence, we discuss the necessary and sufficient conditions for the fronts to actually run away. We also propose a phenomenological model for the friction, which interpolates between the non-relativistic and ultra-relativistic values. Thus, the friction depends on two friction coefficients which can be calculated for specific models. We then study the velocity of phase transition fronts as a function of the friction parameters, the thermodynamic parameters, and the amount of supercooling.

  18. Isotropization from Color Field Condensate in heavy ion collisions

    E-Print Network [OSTI]

    Stefan Floerchinger; Christof Wetterich

    2014-08-27T23:59:59.000Z

    The expanding fireball shortly after a heavy ion collision may be qualitatively described by a condensate of color fields or gluons which is analogous to Bose-Einstein-condensation for massive bosonic particles. This condensate is a transient non-equilibrium phenomenon and breaks Lorentz-boost symmetry. The dynamics of color field condensates involves collective excitations and is rather different from the perturbative scattering of gluons. In particular, it provides for an efficient mechanism to render the local pressure approximately isotropic after a short time of 0.2 fm/c. We suggest that an isotropic color field condensate may play a central role for a simple description of prethermalization and isotropization in the early stages of the collision.

  19. X-ray spectroscopy of the supernova remnant RCW 86

    E-Print Network [OSTI]

    Jacco Vink; Jelle Kaastra; Johan Bleeker

    1997-09-12T23:59:59.000Z

    We present an analysis of ASCA X-ray data of SNR RCW 86. There appears to be a remarkable spectral variation over the remnant, indicating temperatures varying from 0.8 keV to > 3 keV. We have fitted these spectra with non-equilibrium ionization models and found that all regions are best fitted by emission from a hot plasma underabundant in metals (<0.25 solar), but in some cases fluorescent emission indicates overabundances of Ar and Fe. The ionization stage of the metals appears to be far from equilibrium, at some spots as low as log(n_e t) 15.3 (SI units). We discuss the physical reality of the abundances and suggest an electron distribution with a supra-thermal tail to alleviate the strong depletion factors observed. We argue that RCW 86 is the result of a cavity explosion.

  20. Enhanced thermoelectric properties in hybrid graphene-boron nitride nanoribbons

    E-Print Network [OSTI]

    Kaike Yang; Yuanping Chen; Roberto D'Agosta; Yuee Xie; Jianxin Zhong; Angel Rubio

    2012-04-06T23:59:59.000Z

    The thermoelectric properties of hybrid graphene-boron nitride nanoribbons (BCNNRs) are investigated using the non-equilibrium Green's function (NEGF) approach. We find that the thermoelectric figure of merit (ZT) can be remarkably enhanced by periodically embedding hexagonal BN (h-BN) into graphene nanoribbons (GNRs). Compared to pristine GNRs, the ZT for armchair-edged BCNNRs with width index 3p+2 is enhanced up to 10~20 times while the ZT of nanoribbons with other widths is enhanced just by 1.5~3 times. As for zigzag-edge nanoribbons, the ZT is enhanced up to 2~3 times. This improvement comes from the combined increase in the Seebeck coefficient and the reduction in the thermal conductivity outweighing the decrease in the electrical conductance. In addition, the effect of component ratio of h-BN on the thermoelectric transport properties is discussed. These results qualify BCNNRs as a promising candidate for building outstanding thermoelectric devices.

  1. Neutrino cooling and spin-down of rapidly rotating compact stars

    E-Print Network [OSTI]

    Prashanth Jaikumar; Stou Sandalski

    2010-08-30T23:59:59.000Z

    The gravitational-wave instability of r-modes in rapidly rotating compact stars is believed to spin them down to angular frequencies of about a tenth of the Kepler frequency soon after their birth in a Supernova. We point out that the r-mode perturbation also impacts the neutrino cooling and viscosity in hot compact stars via processes that restore weak equilibrium. We illustrate this fact with a simple model of spin-down due to gravitational wave emission in compact stars composed entirely of three-flavor degenerate quark matter (a strange quark star). Non-equilibrium neutrino cooling of this oscillating fluid matter is quantified. Our results imply that a consistent treatment of thermal and spin-frequency evolution of a young and hot compact star is a requisite in estimating the persistence of gravitational waves from such a source.

  2. Statistical charge distribution over dust particles in a non-Maxwellian Lorentzian plasma

    SciTech Connect (OSTI)

    Mishra, S. K. [Institute for Plasma Research (IPR), Gandhinagar-382428 (India); Misra, Shikha, E-mail: shikhamish@gmail.com [Centre for Energy Studies (CES), Indian Institute of Technology Delhi (IITD), New Delhi-110016 (India)

    2014-07-15T23:59:59.000Z

    On the basis of statistical mechanics and charging kinetics, the charge distribution over uniform size spherical dust particles in a non-Maxwellian Lorentzian plasma is investigated. Two specific situations, viz., (i) the plasma in thermal equilibrium and (ii) non-equilibrium state where the plasma is dark (no emission) or irradiated by laser light (including photoemission) are taken into account. The formulation includes the population balance equation for the charged particles along with number and energy balance of the complex plasma constituents. The departure of the results for the Lorentzian plasma, from that in case of Maxwellian plasma, is graphically illustrated and discussed; it is shown that the charge distribution tends to results corresponding to Maxwellian plasma for large spectral index. The charge distribution predicts the opposite charging of the dust particles in certain cases.

  3. Transport, Aharonov-Bohm, and Topological Effects in Graphene Molecular Junctions and Graphene Nanorings

    E-Print Network [OSTI]

    Yannouleas, Constantine; Landman, Uzi

    2015-01-01T23:59:59.000Z

    The unique ultra-relativistic, massless, nature of electron states in two-dimensional extended graphene sheets, brought about by the honeycomb lattice arrangement of carbon atoms in two-dimensions, provides ingress to explorations of fundamental physical phenomena in graphene nanostructures. Here we explore the emergence of new behavior of electrons in atomically precise segmented graphene nanoribbons (GNRs) and graphene rings with the use of tight-binding calculations, non-equilibrium Green's function transport theory, and a newly developed Dirac continuum model that absorbs the valence-to-conductance energy gaps as position-dependent masses, including topological-in-origin mass-barriers at the contacts between segments. Through transport investigations in variable-width segmented GNRs with armchair, zigzag, and mixed edge terminations we uncover development of new Fabry-Perot-like interference patterns in segmented GNRs, a crossover from the ultra-relativistic massless regime, characteristic of extended gra...

  4. Probing X-ray Absorption and Optical Extinction in the Interstellar Medium Using Chandra Observations of Supernova Remnants

    E-Print Network [OSTI]

    Foight, Dillon; Ozel, Feryal; Slane, Patrick

    2015-01-01T23:59:59.000Z

    We present a comprehensive study of interstellar X-ray extinction using the extensive Chandra supernova remnant archive and use our results to refine the empirical relation between the hydrogen column density and optical extinction. In our analysis, we make use of the large, uniform data sample to assess various systematic uncertainties in the measurement of the interstellar X-ray absorption. Specifically, we address systematic uncertainties that originate from (i) the emission models used to fit supernova remnant spectra, (ii) the spatial variations within individual remnants, (iii) the physical conditions of the remnant such as composition, temperature, and non-equilibrium regions, and (iv) the model used for the absorption of X-rays in the interstellar medium. Using a Bayesian framework to quantify these systematic uncertainties, and combining the resulting hydrogen column density measurements with the measurements of optical extinction toward the same remnants, we find the empirical relation NH = (2.87+/-...

  5. Real-time calibration of a feedback trap

    SciTech Connect (OSTI)

    Gavrilov, Mom?ilo; Jun, Yonggun; Bechhoefer, John, E-mail: johnb@sfu.ca [Department of Physics, Simon Fraser University, Burnaby, British Columbia V5A 1S6 (Canada)

    2014-09-15T23:59:59.000Z

    Feedback traps use closed-loop control to trap or manipulate small particles and molecules in solution. They have been applied to the measurement of physical and chemical properties of particles and to explore fundamental questions in the non-equilibrium statistical mechanics of small systems. These applications have been hampered by drifts in the electric forces used to manipulate the particles. Although the drifts are small for measurements on the order of seconds, they dominate on time scales of minutes or slower. Here, we show that a recursive maximum likelihood (RML) algorithm can allow real-time measurement and control of electric and stochastic forces over time scales of hours. Simulations show that the RML algorithm recovers known parameters accurately. Experimental estimates of diffusion coefficients are also consistent with expected physical properties.

  6. Spin Accumulation Encoded in Electronic Noise for Mesoscopic Billiards with Finite Tunneling Rates

    E-Print Network [OSTI]

    J. G. G. S. Ramos; A. L. R. Barbosa; D. Bazeia; M. S. Hussein

    2012-04-12T23:59:59.000Z

    We study the effects of spin accumulation (inside reservoirs) on electronic transport with tunneling and reflections at the gates of a quantum dot. Within the stub model, the calculation focus on the current-current correlation function for the flux of electrons injected into the quantum dot. The linear response theory used allows to obtain the noise power in the regime of thermal crossover as a function of parameters that reveal the spin polarization at the reservoirs. The calculation is performed employing diagrammatic integration within the universal groups (ensembles of Dyson) for a non-ideal, non-equilibrium chaotic quantum dot. We show that changes in the spin distribution determines significant alteration in noise behavior at values of the tunneling rates close to zero, in the regime of strong reflection at the gates.

  7. Primordial beryllium as a big bang calorimeter

    E-Print Network [OSTI]

    Maxim Pospelov; Josef Pradler

    2011-03-23T23:59:59.000Z

    Many models of new physics including variants of supersymmetry predict metastable long-lived particles that can decay during or after primordial nucleosynthesis, releasing significant amounts of non-thermal energy. The hadronic energy injection in these decays leads to the formation of ^9Be via the chain of non-equilibrium transformations: Energy_h -> T, ^3He -> ^6He, ^6Li -> ^9Be. We calculate the efficiency of this transformation and show that if the injection happens at cosmic times of a few hours, the release of 10 MeV per baryon can be sufficient for obtaining a sizable ^9Be abundance. The absence of a plateau-structure in the ^9Be/H abundance down to a 10^{-14} level allows one to use beryllium as a robust constraint on new physics models with decaying or annihilating particles.

  8. A model for enhanced fusion reaction in a solid matrix of metal deuterides

    E-Print Network [OSTI]

    K. P. Sinha; A. Meulenberg

    2009-01-16T23:59:59.000Z

    Our study shows that the cross-section for fusion improves considerably if d-d pairs are located in linear (one-dimensional) chainlets or line defects. Such non-equilibrium defects can exist only in a solid matrix. Further, solids harbor lattice vibrational modes (quanta, phonons) whose longitudinal-optical modes interact strongly with electrons and ions. One such interaction, resulting in potential inversion, causes localization of electron pairs on deuterons. Thus, we have attraction of D+ D- pairs and strong screening of the nuclear repulsion due to these local electron pairs (local charged bosons: acronym, lochons). This attraction and strong coupling permits low-energy deuterons to approach close enough to alter the standard equations used to define nuclear-interaction cross-sections. These altered equations not only predict that low-energy-nuclear reactions (LENR) of D+ D- (and H+ H-) pairs are possible, they predict that they are probable.

  9. A model for enhanced fusion reaction in a solid matrix of metal deuterides

    E-Print Network [OSTI]

    Sinha, K P

    2009-01-01T23:59:59.000Z

    Our study shows that the cross-section for fusion improves considerably if d-d pairs are located in linear (one-dimensional) chainlets or line defects. Such non-equilibrium defects can exist only in a solid matrix. Further, solids harbor lattice vibrational modes (quanta, phonons) whose longitudinal-optical modes interact strongly with electrons and ions. One such interaction, resulting in potential inversion, causes localization of electron pairs on deuterons. Thus, we have attraction of D+ D- pairs and strong screening of the nuclear repulsion due to these local electron pairs (local charged bosons: acronym, lochons). This attraction and strong coupling permits low-energy deuterons to approach close enough to alter the standard equations used to define nuclear-interaction cross-sections. These altered equations not only predict that low-energy-nuclear reactions (LENR) of D+ D- (and H+ H-) pairs are possible, they predict that they are probable.

  10. From gyroscopic to thermal motion: a crossover in the dynamics of molecular superrotors

    E-Print Network [OSTI]

    Milner, A A; Rezaiezadeh, K; Milner, V

    2015-01-01T23:59:59.000Z

    Localized heating of a gas by intense laser pulses leads to interesting acoustic, hydrodynamic and optical effects with numerous applications in science and technology, including controlled wave guiding and remote atmosphere sensing. Rotational excitation of molecules can serve as the energy source for raising the gas temperature. Here, we study the dynamics of energy transfer from the molecular rotation to heat. By optically imaging a cloud of molecular superrotors, created with an optical centrifuge, we experimentally identify two separate and qualitatively different stages of its evolution. The first non-equilibrium "gyroscopic" stage is characterized by the modified optical properties of the centrifuged gas - its refractive index and optical birefringence, owing to the ultrafast directional molecular rotation, which survives tens of collisions. The loss of rotational directionality is found to overlap with the release of rotational energy to heat, which triggers the second stage of thermal expansion. The ...

  11. Rate-dependent morphology of Li2O2 growth in Li-O2 batteries

    E-Print Network [OSTI]

    Horstmann, B; Mitchell, R; Bessler, W G; Shao-Horn, Y; Bazant, M Z

    2013-01-01T23:59:59.000Z

    Compact solid discharge products enable energy storage devices with high gravimetric and volumetric energy densities, but solid deposits on active surfaces can disturb charge transport and induce mechanical stress. In this Letter we develop a nanoscale continuum model for the growth of Li2O2 crystals in lithium-oxygen batteries with organic electrolytes, based on a theory of electrochemical non-equilibrium thermodynamics originally applied to Li-ion batteries. As in the case of lithium insertion in phase-separating LiFePO4 nanoparticles, the theory predicts a transition from complex to uniform morphologies of Li2O2 with increasing current. Discrete particle growth at low discharge rates becomes suppressed at high rates, resulting in a film of electronically insulating Li2O2 that limits cell performance. We predict that the transition between these surface growth modes occurs at current densities close to the exchange current density of the cathode reaction, consistent with experimental observations.

  12. Habitability and Multistability in Earth-like Planets

    E-Print Network [OSTI]

    Lucarini, Valerio; Boschi, Robert; Kirk, Edilbert; Iro, Nicolas

    2013-01-01T23:59:59.000Z

    We explore the potential multistability of the climate for a planet around the habitable zone. We focus on conditions reminiscent to those of the Earth system, but our investigation aims at presenting a general methodology for dealing with exoplanets. We provide a thorough analysis of the non-equilibrium thermodynamical properties of the climate system and explore, using a a flexible climate model, how such properties depend on the energy input of the parent star, on the infrared atmospheric opacity, and on the rotation rate. It is possible to reproduce the multi-stability properties reminiscent of the paleoclimatologically relevant snowball (SB) - warm (W) conditions. We then study the thermodynamics of the W and SB states, clarifying the role of the hydrological cycle in shaping the irreversibility and the efficiency of the W states, and emphasizing the extreme diversity of the SB states, where dry conditions are realized. Thermodynamics provides the clue for studying the tipping points of the system and le...

  13. Topology and Dynamics of Active Nematic Vesicles

    E-Print Network [OSTI]

    Felix C. Keber; Etienne Loiseau; Tim Sanchez; Stephen J. DeCamp; Luca Giomi; Mark J. Bowick; M. Cristina Marchetti; Zvonimir Dogic; Andreas R. Bausch

    2014-09-05T23:59:59.000Z

    Engineering synthetic materials that mimic the remarkable complexity of living organisms is a fundamental challenge in science and technology. We study the spatiotemporal patterns that emerge when an active nematicfilm of microtubules and molecular motors is encapsulated within a shape-changing lipid vesicle. Unlike in equilibrium systems, where defects are largely static structures, in active nematics defects move spontaneously and can be described as self-propelled particles. The combination of activity, topological constraints and vesicle deformability produces a myriad of dynamical states. We highlight two dynamical modes: a tunable periodic state that oscillates between two defect configurations, and shape-changing vesicles with streaming filopodia-like protrusions. These results demonstrate how biomimetic materials can be obtained when topological constraints are used to control the non-equilibrium dynamics of active matter.

  14. Bose-Einstein condensation of pions in heavy-ion collisions at the CERN Large Hadron Collider (LHC) energies

    E-Print Network [OSTI]

    Viktor Begun; Wojciech Florkowski

    2015-04-22T23:59:59.000Z

    We analyse in detail the possibility of Bose-Einstein condensation of pions produced in heavy-ion collisions at the beam energy $\\sqrt{s_{\\rm NN}}$ = 2.76 TeV. Our approach is based on the chemical non-equilibrium thermal model of hadron production which has been generalised to include separately the contribution from the local zero-momentum state. In order to study both the hadronic multiplicities and the transverse-momentum spectra, we use the Cracow freeze-out model which parameterises the flow and space-time geometry of the system at freeze-out in a very economic way. Our analysis indicates that about 5% of all pions may form the Bose-Einstein condensate.

  15. The robust assembly of small symmetric nano-shells

    E-Print Network [OSTI]

    Jef Wagner; Roya Zandi

    2014-10-03T23:59:59.000Z

    Highly symmetric nano-shells are found in many biological systems, such as clathrin cages and viral shells. Several studies have shown that symmetric shells appear in nature as a result of the free energy minimization of a generic interaction between their constituent subunits. We examine the physical basis for the formation of symmetric shells, and using a minimal model we demonstrate that these structures can readily grow from identical subunits under non equilibrium conditions. Our model of nano-shell assembly shows that the spontaneous curvature regulates the size of the shell while the mechanical properties of the subunit determines the symmetry of the assembled structure. Understanding the minimum requirements for the formation of closed nano-shells is a necessary step towards engineering of nano-containers, which will have far reaching impact in both material science and medicine.

  16. Thomson parabola spectrometry for gold laser-generated plasmas

    SciTech Connect (OSTI)

    Torrisi, L.; Cutroneo, M.; Ando, L. [Physics Department of Messina University, V.le F. S. D'Alcontres 31, 9816 S. Agata (Italy); Ullschmied, J. [Institute of Physics, ASCR, v.v.i., 182 21 Prague 8 (Czech Republic)

    2013-02-15T23:59:59.000Z

    The plasma generated from thin gold films irradiated in high vacuum at high intensity ({approx}10{sup 15} W/cm{sup 2}) laser shot is characterized in terms of ion generation through time-of-flight techniques and Thomson parabola spectrometry. Gold ions and protons, accelerated in forward direction by the electric field developed in non-equilibrium plasma, have been investigated. Measurements, performed at PALS laboratory, give information about the gold charge states distributions, the ion energy distributions and the proton acceleration driven as a function of film thickness, laser parameters, and angular emission. The ion diagnostics of produced plasma in forward direction permits to understand some mechanisms developed during its expansion kinetics. The role of the focal position of a laser beam with respect to the target surface, plasma properties, and the possibility to accelerate protons up to energies above 3 MeV has been presented and discussed.

  17. The free energy cost of reducing noise while maintaining a high sensitivity

    E-Print Network [OSTI]

    Sartori, Pablo

    2015-01-01T23:59:59.000Z

    Living systems need to be highly responsive, and also to keep fluctuations low. These goals are incompatible in equilibrium systems due to the Fluctuation Dissipation Theorem (FDT). Here, we show that biological sensory systems, driven far from equilibrium by free energy consumption, can reduce their intrinsic fluctuations while maintaining high responsiveness. By developing a continuum theory of the E. coli chemotaxis pathway, we demonstrate that adaptation can be understood as a non-equilibrium phase transition controlled by free energy dissipation, and it is characterized by a breaking of the FDT. We show that the maximum response at short time is enhanced by free energy dissipation. At the same time, the low frequency fluctuations and the adaptation error decrease with the free energy dissipation algebraically and exponentially, respectively.

  18. A general end point free energy calculation method based on microscopic configurational space coarse-graining

    E-Print Network [OSTI]

    Tian, Pu

    2015-01-01T23:59:59.000Z

    Free energy is arguably the most important thermodynamic property for physical systems. Despite the fact that free energy is a state function, presently available rigorous methodologies, such as those based on thermodynamic integration (TI) or non-equilibrium work (NEW) analysis, involve energetic calculations on path(s) connecting the starting and the end macrostates. Meanwhile, presently widely utilized approximate end-point free energy methods lack rigorous treatment of conformational variation within end macrostates, and are consequently not sufficiently reliable. Here we present an alternative and rigorous end point free energy calculation formulation based on microscopic configurational space coarse graining, where the configurational space of a high dimensional system is divided into a large number of sufficiently fine and uniform elements, which were termed conformers. It was found that change of free energy is essentially decided by change of the number of conformers, with an error term that accounts...

  19. Work extraction and thermodynamics for individual quantum systems

    E-Print Network [OSTI]

    Paul Skrzypczyk; Anthony J. Short; Sandu Popescu

    2014-09-26T23:59:59.000Z

    Thermodynamics is traditionally concerned with systems comprised of a large number of particles. Here we present a framework for extending thermodynamics to individual quantum systems, including explicitly a thermal bath and work-storage device (essentially a `weight' that can be raised or lowered). We prove that the second law of thermodynamics holds in our framework, and give a simple protocol to extract the optimal amount of work from the system, equal to its change in free energy. Our results apply to any quantum system in an arbitrary initial state, in particular including non-equilibrium situations. The optimal protocol is essentially reversible, similar to classical Carnot cycles, and indeed, we show that it can be used it to construct a quantum Carnot engine.

  20. Third-generation cylindrical dendrimers based on L-aspargic acid in solutions: hydrodynamic and electrooptical properties

    E-Print Network [OSTI]

    Ilya Martchenko; Nikolai Tsvetkov

    2008-09-23T23:59:59.000Z

    Samples of third-generation cylindrical dendrimers with molar masses ranging in the interval 20000...60000 have been studied by the methods of equilibrium and non-equilibrium electrical birefringence, molecular hydrodynamics and optics. It was found that the absolute values of Kerr and flow birefringence constants exceed the values obtained for analogous dendrimers of lower generations. The mechanism of reorientation has proven to be strongly dependent on the physical and chemical properties of the solvent. In chloroform solutions, the studied dendrimers align to the microwave-frequency electric fields according to large-scale mechanism. In dichloroacetic acid solutions, the observed reorientation mechanism is low-scale, which is explained by degradation of intermolecular hydrogen bonds. Terminal dendritic substituents of the macromolecules have experimentally proven to be oriented mainly along the primary polymer chain.

  1. The Emergence of Consciousness in the Quantum Universe

    E-Print Network [OSTI]

    Zhang, Xiaolei

    2011-01-01T23:59:59.000Z

    It is argued that human consciousness is likely to have emerged during self-consistent evolution of the physical universe through the gradual accumulation of biological entities' ability to tap into the intrinsic non-deterministic potentiality during the global non-equilibrium phase transitions in the quantum universe. Due to the fact that the matter and energy content participating in the global phase transitions in the quantum universe is a continuum, there is in effect an infinite degrees-of-freedom in the substratum, which invalidates the usual deterministic laws of the mechanical evolution, and allows a chance factor to appear in the emergent properties of resonantly-formed quantum particles, especially in the acquired phases of their wave functions. Such chance factors, though occurring mostly randomly during the early cosmic evolution phase, can be harnessed more "purposefully" by the biological entities co-evolving with the physical universe, due in part to the globally entangled nature of quantum int...

  2. Collisions with Black Holes and Deconfined Plasmas

    E-Print Network [OSTI]

    Amsel, Aaron J; Virmani, Amitabh

    2008-01-01T23:59:59.000Z

    We use AdS/CFT to investigate i) high energy collisions with balls of deconfined plasma surrounded by a confining phase and ii) the rapid localized heating of a deconfined plasma. Both of these processes are dual to collisions with black holes, where they result in the nucleation of a new "arm" of the horizon reaching out in the direction of the incident object. We study the resulting non-equilibrium dynamics in a universal limit of the gravitational physics which may indicate universal behavior of deconfined plasmas at large N_c. Process (i) produces "virtual" arms of the plasma ball, while process (ii) can nucleate surprisingly large bubbles of a higher temperature phase.

  3. Collisions with Black Holes and Deconfined Plasmas

    E-Print Network [OSTI]

    Aaron J. Amsel; Donald Marolf; Amitabh Virmani

    2007-12-13T23:59:59.000Z

    We use AdS/CFT to investigate i) high energy collisions with balls of deconfined plasma surrounded by a confining phase and ii) the rapid localized heating of a deconfined plasma. Both of these processes are dual to collisions with black holes, where they result in the nucleation of a new "arm" of the horizon reaching out in the direction of the incident object. We study the resulting non-equilibrium dynamics in a universal limit of the gravitational physics which may indicate universal behavior of deconfined plasmas at large N_c. Process (i) produces "virtual" arms of the plasma ball, while process (ii) can nucleate surprisingly large bubbles of a higher temperature phase.

  4. Formation of double-$?$ hypernuclei at PANDA

    E-Print Network [OSTI]

    T. Gaitanos; A. B. Larionov; H. Lenske; U. Mosel

    2012-01-17T23:59:59.000Z

    We study the formation of single- and double-$\\Lambda$ hypernuclei in antiproton-induced reactions relevant for the forthcoming PANDA experiment at FAIR. We use the Giessen Boltzmann-Uehling-Uhlenbeck (GiBUU) transport model with relativistic mean-fields for the description of non-equilibrium dynamics and the statistical multifragmentation model (SMM) for fragment formation. This combined approach describes the dynamical properties of strangeness and fragments in low energy $\\bar{p}$-induced reactions fairly well. We then focus on the formation of double-$\\Lambda$ hypernuclei in high energy $\\bar{p}$-nucleus collisions on a primary target including the complementary $\\Xi$-induced reactions to a secondary one, as proposed by the PANDA collaboration. Our results show that a copious production of double-$\\Lambda$ hyperfragments is possible at PANDA. In particular, we provide first theoretical estimations on the double-$\\Lambda$ production cross section, which strongly rises with decreasing energy of the secondary $\\Xi$-beam.

  5. Three-fold way to extinction in cyclically competing species

    E-Print Network [OSTI]

    Rulands, S; Frey, E

    2010-01-01T23:59:59.000Z

    Species extinction occurs regularly and unavoidably in ecological systems. The time scales for extinction can broadly vary and inform on the ecosystem's stability. We study the spatio-temporal extinction dynamics of a paradigmatic population model where three species exhibit cyclic competition. The cyclic dynamics reflects the non-equilibrium nature of the species interactions. We identify three types of dynamics that leave leave their fingerprints in the extinction-time probability distribution: rapid extinction, heteroclinic orbits, and metastable traveling weaves. Based on these three types we develop semi-phenomenological arguments for the functional form and the scaling behavior of the extinction-time probability distribution. These analytical results are supported by extensive numerical simulations.

  6. Global attractors and extinction dynamics of cyclically competing species

    E-Print Network [OSTI]

    Rulands, Steffen; Frey, Erwin

    2013-01-01T23:59:59.000Z

    Transitions to absorbing states are of fundamental importance in non-equilibrium physics as well as ecology. In ecology, absorbing states correspond to the extinction of species. We here study the spatial population dynamics of three cyclically interacting species. The interaction scheme comprises both direct competition between species as in the cyclic Lotka-Volterra model, and separated selection and reproduction processes as in the May-Leonard model. We show that the dynamic processes leading to the transient maintenance of biodiversity are closely linked to attractors of the nonlinear dynamics for the overall species' concentrations. The characteristics of these global attractors change qualitatively at certain threshold values of the mobility, and depend on the relative strength of the different types of competition between species. They give information about the scaling of extinction times with the system size and thereby the stability of biodiversity. We define an effective free energy as the negative...

  7. Transport properties of zigzag graphene nanoribbon decorated with copper clusters

    SciTech Connect (OSTI)

    Berahman, M.; Sheikhi, M. H., E-mail: msheikhi@shirazu.ac.ir [School of Electrical and Computer Eng, Shiraz University, Shiraz (Iran, Islamic Republic of); Nanotechnology Research Institute, Shiraz University, Shiraz (Iran, Islamic Republic of)

    2014-09-07T23:59:59.000Z

    Using non-equilibrium green function with density functional theory, the present study investigates the transport properties of decorated zigzag graphene nanoribbon with a copper cluster. We have represented the decoration of zigzag graphene nanoribbon with single copper atom and cluster containing two and three copper atoms. In all the cases, copper atoms tend to occupy the edge state. In addition, we have shown that copper can alter the current-voltage characteristic of zigzag graphene nanoribbon and create new fluctuations and negative differential resistance. These alternations are made due to discontinuity in the combination of orbitals along the graphene nanoribbon. Decoration alters these discontinuities and creates more visible fluctuations. However, in low bias voltages, the changes are similar in all the cases. The study demonstrates that in the decorated zigzag graphene nanoribbon, the edge states are the main states for transporting electron from one electrode to another.

  8. Impact of nanostructure configuration on the photovoltaic performance of quantum dot arrays

    E-Print Network [OSTI]

    Berbezier, Aude

    2014-01-01T23:59:59.000Z

    In this work, an effective quantum model based on the non-equilibrium Green's function formalism is used to investigate a selectively contacted high density quantum dot array in an wide band gap host matrix for operation as a quantum dot-enhanced single junction solar cell. By establishing a direct relation between nanostructure configuration and optoelectronic properties, the investigation reveals the influence of inter-dot and dot-contact coupling strength on the radiative rates and consequently on the ultimate performance of photovoltaic devices with finite quantum dot arrays as the active medium. The dominant effects originate in the dependence of the Joint Density of States on the inter-dot coupling in terms of band width and effective band gap.

  9. Quantum effects after decoherence in a quenched phase transition

    E-Print Network [OSTI]

    Nuno D. Antunes; Fernando C. Lombardo; Diana Monteoliva

    2001-10-30T23:59:59.000Z

    We study a quantum mechanical toy model that mimics some features of a quenched phase transition. Both by virtue of a time-dependent Hamiltonian or by changing the temperature of the bath we are able to show that even after classicalization has been reached, the system may display quantum behaviour again. We explain this behaviour in terms of simple non-linear analysis and estimate relevant time scales that match the results of numerical simulations of the master-equation. This opens new possibilities both in the study of quantum effects in non-equilibrium phase transitions and in general time-dependent problems where quantum effects may be relevant even after decoherence has been completed.

  10. Thermodynamics of accuracy in kinetic proofreading: Dissipation and efficiency trade-offs

    E-Print Network [OSTI]

    Riccardo Rao; Luca Peliti

    2015-04-09T23:59:59.000Z

    The high accuracy exhibited by biological information transcription processes is due to kinetic proofreading, i.e., by a mechanism which reduces the error rate of the information-handling process by driving it out of equilibrium. We provide a consistent thermodynamic description of enzyme-assisted assembly processes involving competing substrates, in a Master Equation framework. We introduce and evaluate a measure of the efficiency based on rigorous non-equilibrium inequalities. The performance of several proofreading models are thus analyzed and the related time, dissipation and efficiency vs. error trade-offs exhibited for different discrimination regimes. We finally introduce and analyze in the same framework a simple model which takes into account correlations between consecutive enzyme-assisted assembly steps. This work highlights the relevance of the distinction between energetic and kinetic discrimination regimes in enzyme-substrate interactions.

  11. Thermodynamics in f(R,T) Theory of Gravity

    E-Print Network [OSTI]

    M. Sharif; M. Zubair

    2012-04-11T23:59:59.000Z

    A non-equilibrium picture of thermodynamics is discussed at the apparent horizon of FRW universe in $f(R,T)$ gravity, where $R$ is the Ricci scalar and $T$ is the trace of the energy-momentum tensor. We take two forms of the energy-momentum tensor of dark components and demonstrate that equilibrium description of thermodynamics is not achievable in both cases. We check the validity of the first and second law of thermodynamics in this scenario. It is shown that the Friedmann equations can be expressed in the form of first law of thermodynamics $T_hdS'_h+T_hd_{\\jmath}S'=-dE'+W'dV$, where $d_{\\jmath}S'$ is the entropy production term. Finally, we conclude that the second law of thermodynamics holds both in phantom and non-phantom phases.

  12. Non-linear irreversible thermodynamics of single-molecule experiments

    E-Print Network [OSTI]

    Santamaria-Holek, I; Hidalgo-Soria, M; Perez-Madrid, A

    2015-01-01T23:59:59.000Z

    Irreversible thermodynamics of single-molecule experiments subject to external constraining forces of a mechanical nature is presented. Extending Onsager's formalism to the non-linear case of systems under non-equilibrium external constraints, we are able to calculate the entropy production and the general non-linear kinetic equations for the variables involved. In particular, we analyze the case of RNA stretching protocols obtaining critical oscillations between di?erent con?gurational states when forced by external means to remain in the unstable region of its free-energy landscape, as observed in experiments. We also calculate the entropy produced during these hopping events, and show how resonant phenomena in stretching experiments of single RNA macromolecules may arise. We also calculate the hopping rates using Kramer's approach obtaining a good comparison with experiments.

  13. Exact decoherence dynamics of $1/f$ noise

    E-Print Network [OSTI]

    Md. Manirul Ali; Ping-Yuan Lo; Wei-Min Zhang

    2014-10-06T23:59:59.000Z

    In this paper, we investigate the exact decoherence dynamics of a superconducting resonator coupled to an electromagnetic reservoir characterized by the $1/f$ noise at finite temperature, where a full quantum description of the environment with $1/f^{x}$ noise (with $x \\approx 1$) is presented. The exact master equation and the associated non-equilibrium Green's functions are solved exactly for such an open system. We show a clear signal of non-Markovian dynamics induced purely by $1/f$ noise. Our analysis is also applicable to another nano/micro mechanical oscillators. Finally, we demonstrate the non-Markovian decoherence dynamics of photon number superposition states using Wigner distribution that could be measured in experiments.

  14. A theory of finite deformation magneto-viscoelasticity

    E-Print Network [OSTI]

    Saxena, Prashant; Steinmann, Paul

    2015-01-01T23:59:59.000Z

    This paper deals with the mathematical modelling of large strain magneto-viscoelastic deformations. Energy dissipation is assumed to occur both due to the mechanical viscoelastic effects as well as the resistance offered by the material to magnetisation. Existence of internal damping mechanisms in the body is considered by decomposing the deformation gradient and the magnetic induction into `elastic' and `viscous' parts. Constitutive laws for material behaviour and evolution equations for the non-equilibrium fields are derived that agree with the laws of thermodynamics. To illustrate the theory the problems of stress relaxation, magnetic field relaxation, time dependent magnetic induction and strain are formulated and solved for a specific form of the constitutive law. The results, that show the effect of several modelling parameters on the deformation and magnetisation process, are illustrated graphically.

  15. Absolute atomic oxygen and nitrogen densities in radio-frequency driven atmospheric pressure cold plasmas: Synchrotron vacuum ultra-violet high-resolution Fourier-transform absorption measurements

    SciTech Connect (OSTI)

    Niemi, K.; O'Connell, D.; Gans, T. [York Plasma Institute, Department of Physics, University of York, York YO10 5DD (United Kingdom); Oliveira, N. de; Joyeux, D.; Nahon, L. [Synchrotron Soleil, l'Orme des Merisiers, St. Aubin BP 48, 91192 Gif sur Yvette Cedex (France); Booth, J. P. [Laboratoire de Physique des Plasmas-CNRS, Ecole Polytechnique, 91128 Palaiseau (France)

    2013-07-15T23:59:59.000Z

    Reactive atomic species play a key role in emerging cold atmospheric pressure plasma applications, in particular, in plasma medicine. Absolute densities of atomic oxygen and atomic nitrogen were measured in a radio-frequency driven non-equilibrium plasma operated at atmospheric pressure using vacuum ultra-violet (VUV) absorption spectroscopy. The experiment was conducted on the DESIRS synchrotron beamline using a unique VUV Fourier-transform spectrometer. Measurements were carried out in plasmas operated in helium with air-like N{sub 2}/O{sub 2} (4:1) admixtures. A maximum in the O-atom concentration of (9.1 {+-} 0.7) Multiplication-Sign 10{sup 20} m{sup -3} was found at admixtures of 0.35 vol. %, while the N-atom concentration exhibits a maximum of (5.7 {+-} 0.4) Multiplication-Sign 10{sup 19} m{sup -3} at 0.1 vol. %.

  16. Numerical analysis of atomic density distribution in arc driven negative ion sources

    SciTech Connect (OSTI)

    Yamamoto, T., E-mail: t.yamamoto@ppl.appi.keio.ac.jp; Shibata, T.; Hatayama, A. [Graduate School of Science and Technology, Keio University, 3-14-1 Hiyoshi, Yokohama 223-8522 (Japan)] [Graduate School of Science and Technology, Keio University, 3-14-1 Hiyoshi, Yokohama 223-8522 (Japan); Kashiwagi, M.; Hanada, M. [Japan Atomic Energy Agency (JAEA), 801-1 Mukouyama, Naka 311-0193 (Japan)] [Japan Atomic Energy Agency (JAEA), 801-1 Mukouyama, Naka 311-0193 (Japan); Sawada, K. [Faculty of Engineering, Shinshu University, 4-17-1 Wakasato, Nagano 380-8553 (Japan)] [Faculty of Engineering, Shinshu University, 4-17-1 Wakasato, Nagano 380-8553 (Japan)

    2014-02-15T23:59:59.000Z

    The purpose of this study is to calculate atomic (H{sup 0}) density distribution in JAEA 10 ampere negative ion source. A collisional radiative model is developed for the calculation of the H{sup 0} density distribution. The non-equilibrium feature of the electron energy distribution function (EEDF), which mainly determines the H{sup 0} production rate, is included by substituting the EEDF calculated from 3D electron transport analysis. In this paper, the H{sup 0} production rate, the ionization rate, and the density distribution in the source chamber are calculated. In the region where high energy electrons exist, the H{sup 0} production and the ionization are enhanced. The calculated H{sup 0} density distribution without the effect of the H{sup 0} transport is relatively small in the upper region. In the next step, the effect should be taken into account to obtain more realistic H{sup 0} distribution.

  17. Fluctuating Currents in Stochastic Thermodynamics II. Energy Conversion and Nonequilibrium Response in Kinesin Models

    E-Print Network [OSTI]

    Altaner, Bernhard; Vollmer, Jürgen

    2015-01-01T23:59:59.000Z

    Unlike macroscopic engines, the molecular machinery of living cells is strongly affected by fluctuations. Stochastic Thermodynamics uses Markovian jump processes to model the random transitions between the chemical and configurational states of these biological macromolecules. A recently developed theoretical framework [Wachtel, Vollmer, Altaner: "Fluctuating Currents in Stochastic Thermodynamics I. Gauge Invariance of Asymptotic Statistics"] provides a simple algorithm for the determination of macroscopic currents and correlation integrals of arbitrary fluctuating currents. Here, we use it to discuss energy conversion and nonequilibrium response in different models for the molecular motor kinesin. Methodologically, our results demonstrate the effectiveness of the algorithm in dealing with parameter-dependent stochastic models. For the concrete biophysical problem our results reveal two interesting features in experimentally accessible parameter regions: The validity of a non-equilibrium Green--Kubo relation ...

  18. Maximum velocity of self-propulsion for an active segment

    E-Print Network [OSTI]

    Recho, Pierre

    2015-01-01T23:59:59.000Z

    The motor part of a crawling eukaryotic cell can be represented schematically as an active continuum layer. The main active processes in this layer are protrusion, originating from non-equilibrium polymerization of actin fibers, contraction, induced by myosin molecular motors and attachment due to active bonding of trans-membrane proteins to a substrate. All three active mechanisms are regulated by complex signaling pathways involving chemical and mechanical feedback loops whose microscopic functioning is still poorly understood. In this situation, it is instructive to take a reverse engineering approach and study a problem of finding the spatial organization of standard active elements inside a crawling layer ensuring an optimal cost-performance trade-off. In this paper we assume that (in the range of interest) the energetic cost of self-propulsion is velocity independent and adopt, as an optimality criterion, the maximization of the overall velocity. We then choose a prototypical setting, formulate the corr...

  19. Deceleration of Alpha Particles in the Solar Wind by Instabilities and the Rotational Force: Implications for Heating, Azimuthal Flow, and the Parker Spiral Magnetic Field

    E-Print Network [OSTI]

    Verscharen, Daniel; Bourouaine, Sofiane; Hollweg, Joseph V

    2014-01-01T23:59:59.000Z

    Protons and alpha particles in the fast solar wind are only weakly collisional and exhibit a number of non-equilibrium features, including relative drifts between particle species. Two non-collisional mechanisms have been proposed for limiting differential flow between alpha particles and protons: plasma instabilities and the rotational force. Both mechanisms decelerate the alpha particles. In this paper, we derive an analytic expression for the rate $Q_{\\mathrm{flow}}$ at which energy is released by alpha-particle deceleration, accounting for azimuthal flow and conservation of total momentum. We find that $Q_{\\mathrm{flow}} > 0 $ at $r r_{\\mathrm{crit}}$. We compare the value of $Q_{\\mathrm{flow}}$ at $rwind streams from the Helios and Ulysses spacecraft. We find that $Q_{\\mathrm{flow}}$ exceeds $Q_{\\alpha}$ at $r < 1\\,\\mathrm{AU}$, $Q_{...

  20. Contactless electronic transport in a bio-molecular junction

    SciTech Connect (OSTI)

    Hossain, Faruque M., E-mail: fhossain@unimelb.edu.au; Al-Dirini, Feras; Skafidas, Efstratios [Department of Electrical and Electronic Engineering, The University of Melbourne, Parkville 3010 (Australia); Center for Neural Engineering (CfNE), The University of Melbourne, Parkville 3010 (Australia)

    2014-07-28T23:59:59.000Z

    Molecular electronics hold promise for next generation ultra-low power, nano-scale integrated electronics. The main challenge in molecular electronics is to make a reliable interface between molecules and metal electrodes. Interfacing metals and molecules detrimentally affects the characteristics of nano-scale molecular electronic devices. It is therefore essential to investigate alternative arrangements such as contact-less tunneling gaps wherever such configurations are feasible. We conduct ab initio density functional theory and non-equilibrium Green's functions calculations to investigate the transport properties of a biocompatible glycine molecular junction. By analyzing the localized molecular orbital energy distributions and transmission probabilities in the transport-gap, we find a glycine molecule confined between two gold electrodes, without making a contact, is energetically stable and possesses high tunneling current resembling an excellent ohmic-like interface.

  1. Experimental Observation of a Generalized Gibbs Ensemble

    E-Print Network [OSTI]

    Tim Langen; Sebastian Erne; Remi Geiger; Bernhard Rauer; Thomas Schweigler; Maximilian Kuhnert; Wolfgang Rohringer; Igor E. Mazets; Thomas Gasenzer; Jörg Schmiedmayer

    2014-11-26T23:59:59.000Z

    The connection between the non-equilibrium dynamics of isolated quantum many-body systems and statistical mechanics is a fundamental open question. It is generally believed that the unitary quantum evolution of a sufficiently complex system leads to an apparent maximum-entropy state that can be described by thermodynamical ensembles. However, conventional ensembles fail to describe the large class of systems that exhibit non-trivial conserved quantities. Instead, generalized ensembles have been predicted to maximize entropy in these systems. In our experiments we explicitly show that a degenerate one-dimensional Bose gas relaxes to a state that can be described by such a generalized ensemble. This is verified through a detailed study of correlation functions up to 10th order. The applicability of the generalized ensemble description for isolated quantum many-body systems points to a natural emergence of classical statistical properties from the microscopic unitary quantum evolution.

  2. Pair Creation and an X-ray Free Electron Laser

    E-Print Network [OSTI]

    R. Alkofer; M. B. Hecht; C. D. Roberts; S. M. Schmidt; D. V. Vinnik

    2001-08-17T23:59:59.000Z

    Using a quantum kinetic equation coupled to Maxwell's equation we study the possibility that focused beams at proposed X-ray free electron laser facilities can generate electric field strengths large enough to cause spontaneous electron-positron pair production from the QED vacuum. Our approach yields the time and momentum dependence of the single particle distribution function. Under conditions reckoned achievable at planned facilities, repeated cycles of particle creation and annihilation take place in tune with the laser frequency. However, the peak particle number density is insensitive to this frequency and one can anticipate the production of a few hundred particle pairs per laser period. Field-current feedback and quantum statistical effects are small and can be neglected in this application of non-equilibrium quantum mean field theory.

  3. Quantum Hydrodynamics

    E-Print Network [OSTI]

    Khan, Shabbir A

    2013-01-01T23:59:59.000Z

    Quantum plasma physics is a rapidly evolving research field with a very inter-disciplinary scope of potential applications, ranging from nano-scale science in condensed matter to the vast scales of astrophysical objects. The theoretical description of quantum plasmas relies on various approaches, microscopic or macroscopic, some of which have obvious relation to classical plasma models. The appropriate model should, in principle, incorporate the quantum mechanical effects such as diffraction, spin statistics and correlations, operative on the relevant scales. However, first-principle approaches such as quantum Monte Carlo and density functional theory or quantum-statistical methods such as quantum kinetic theory or non-equilibrium Green's functions require substantial theoretical and computational efforts. Therefore, for selected problems, alternative simpler methods have been put forward. In particular, the collective behavior of many-body systems is usually described within a self-consistent scheme of parti...

  4. ASCA observations of two SNRs and NEI analysis

    E-Print Network [OSTI]

    Ming Sun; Zhenru Wang

    1999-11-17T23:59:59.000Z

    Based on the data from the \\asca observation of SNRs Kes79 and W49B, we present here the analysis of their X-ray spectra and morphologies. The Kes79 spectrum can be well fitted by a single NEI component, and the narrow-band images of that source show an inhomogeneous distribution of heavy elements. The heavy elements are richest in the positions S, SE and SW of Kes79, where there may exist interaction between shocks and molecular clouds implied by radio observations. For W49B we present here the non-equilibrium ionization (NEI) analysis based on its emission line diagnostics, and the spectral fit using two NEI components. The reverse shock in W49B may be still hot and we don't find evidence for a hotter blast wave in \\asca spectra.

  5. Understanding the Multi-Scale and Multi-fractal Dynamics of Space Plasmas Through Tsallis Non-Extensive Statistical Theory

    E-Print Network [OSTI]

    G. P. Pavlos

    2012-03-18T23:59:59.000Z

    In this study it is shown that the Tsallis q-extended statistical theory was found efficient to describe faithfully the space plasmas statistics in every case, from the planetic magnetospheres, to solar corona and solar dynamics, as well as cosmic rays and cosmic stars. Moreover, new theoretical concepts and experimental results are presented concerning the space plasma complex dynamics. The significant message of theoretical and experimental issues presented here is the necessity of generalized statistical and dynamical theory for understanding the non-equilibrium dynamics and the complex character of space plasmas. The q-extension of statistics coupled to the fractal extension of dynamics are the novel and appropriate theoretical framework for the description of space plasma complexity.

  6. Botanical Ratchets

    E-Print Network [OSTI]

    I. M. Kuli?; M. Mani; H. Mohrbach; R. Thaokar; L. Mahadevan

    2008-06-23T23:59:59.000Z

    Ratcheting surfaces are a common motif in nature and appear in plant awns and grasses. They are known to profer selective advantages for seed dispersion and burial. In two simple model experiments we show that these anisotropically toothed surfaces naturally serve as motion rectifiers and generically move in a unidirectional manner when subjected to temporally and spatially symmetric excitations of various origins. Using a combination of theory and experiment we show that a linear relation between awn length and ratchet efficiency holds under biologically relevant conditions. Thus, grass awns efficiently transform non-equilibrium environmental stresses into useful work and directed motion using their length as a fluctuation amplifier, yielding a selective advantage to these organelles in many plant species.

  7. On linearization and preconditioning for radiation diffusion coupled to material thermal conduction equations

    SciTech Connect (OSTI)

    Feng, Tao, E-mail: fengtao2@mail.ustc.edu.cn [School of Mathematical Sciences, University of Science and Technology of China, Hefei 230052 (China) [School of Mathematical Sciences, University of Science and Technology of China, Hefei 230052 (China); Graduate School of China Academy Engineering Physics, Beijing 100083 (China); An, Hengbin, E-mail: an_hengbin@iapcm.ac.cn [National Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100094 (China)] [National Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100094 (China); Yu, Xijun, E-mail: yuxj@iapcm.ac.cn [National Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100094 (China)] [National Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100094 (China); Li, Qin, E-mail: liqin@lsec.cc.ac.cn [Chinese Academy of Mathematics and Systems Science, Beijing 100190 (China)] [Chinese Academy of Mathematics and Systems Science, Beijing 100190 (China); Zhang, Rongpei, E-mail: zhangrongpei@163.com [Graduate School of China Academy Engineering Physics, Beijing 100083 (China)] [Graduate School of China Academy Engineering Physics, Beijing 100083 (China)

    2013-03-01T23:59:59.000Z

    Jacobian-free Newton–Krylov (JFNK) method is an effective algorithm for solving large scale nonlinear equations. One of the most important advantages of JFNK method is that there is no necessity to form and store the Jacobian matrix of the nonlinear system when JFNK method is employed. However, an approximation of the Jacobian is needed for the purpose of preconditioning. In this paper, JFNK method is employed to solve a class of non-equilibrium radiation diffusion coupled to material thermal conduction equations, and two preconditioners are designed by linearizing the equations in two methods. Numerical results show that the two preconditioning methods can improve the convergence behavior and efficiency of JFNK method.

  8. Micro- and nanodomain imaging in uniaxial ferroelectrics: Joint application of optical, confocal Raman, and piezoelectric force microscopy

    SciTech Connect (OSTI)

    Shur, V. Ya., E-mail: vladimir.shur@urfu.ru; Zelenovskiy, P. S. [Ferroelectric Laboratory, Institute of Natural Sciences, Ural Federal University, 620000 Ekaterinburg (Russian Federation)

    2014-08-14T23:59:59.000Z

    The application of the most effective methods of the domain visualization in model uniaxial ferroelectrics of lithium niobate (LN) and lithium tantalate (LT) family, and relaxor strontium-barium niobate (SBN) have been reviewed in this paper. We have demonstrated the synergetic effect of joint usage of optical, confocal Raman, and piezoelectric force microscopies which provide extracting of the unique information about formation of the micro- and nanodomain structures. The methods have been applied for investigation of various types of domain structures with increasing complexity: (1) periodical domain structure in LN and LT, (2) nanodomain structures in LN, LT, and SBN, (3) nanodomain structures in LN with modified surface layer, (4) dendrite domain structure in LN. The self-assembled appearance of quasi-regular nanodomain structures in highly non-equilibrium switching conditions has been considered.

  9. Y-shape spin-separator for two-dimensional group-IV nanoribbons based on quantum spin hall effect

    SciTech Connect (OSTI)

    Gupta, Gaurav, E-mail: a0089293@nus.edu.sg; Abdul Jalil, Mansoor Bin; Liang, Gengchiau, E-mail: elelg@nus.edu.sg [Department of Electrical and Computer Engineering, National University of Singapore, Singapore 117576 (Singapore); Lin, Hsin [Graphene Research Centre and Department of Physics, National University of Singapore, Singapore 117542 (Singapore); Bansil, Arun [Department of Physics, Northeastern University, Boston, Massachusetts 02115 (United States); Huang, Cheng-Yi; Tsai, Wei-Feng [Department of Physics, National Sun Yat-sen University, Kaohsiung 80424, Taiwan (China)

    2014-01-20T23:59:59.000Z

    An efficient spin-separator that operates in quantum spin hall phase has been investigated for two-dimensional group-IV materials. A three-terminal Y-shaped device has been simulated via non-equilibrium Green Function to demonstrate the separation of unpolarized current at source terminal into spin-polarized current of opposite polarity at the two drain terminals. Device controls, i.e., tunable buckling and perpendicular magnetic field have been modeled comprehensively to evaluate the device feasibility and performance. It is shown that these controls can preferentially steer current between the two drains to create a differential charge current with complementary spin polarization, thus enabling a convenient regulation of output signal.

  10. Molecular dynamics simulations of oscillatory Couette flows with slip boundary conditions

    E-Print Network [OSTI]

    Priezjev, Nikolai V

    2012-01-01T23:59:59.000Z

    The effect of interfacial slip on steady-state and time-periodic flows of monatomic liquids is investigated using non-equilibrium molecular dynamics simulations. The fluid phase is confined between atomically smooth rigid walls, and the fluid flows are induced by moving one of the walls. In steady shear flows, the slip length increases almost linearly with shear rate. We found that the velocity profiles in oscillatory flows are well described by the Stokes flow solution with the slip length that depends on the local shear rate. Interestingly, the rate dependence of the slip length obtained in steady shear flows is recovered when the slip length in oscillatory flows is plotted as a function of the local shear rate magnitude. For both types of flows, the friction coefficient at the liquid-solid interface correlates well with the structure of the first fluid layer near the solid wall.

  11. Molecular dynamics simulations of oscillatory Couette flows with slip boundary conditions

    E-Print Network [OSTI]

    Nikolai V. Priezjev

    2012-08-27T23:59:59.000Z

    The effect of interfacial slip on steady-state and time-periodic flows of monatomic liquids is investigated using non-equilibrium molecular dynamics simulations. The fluid phase is confined between atomically smooth rigid walls, and the fluid flows are induced by moving one of the walls. In steady shear flows, the slip length increases almost linearly with shear rate. We found that the velocity profiles in oscillatory flows are well described by the Stokes flow solution with the slip length that depends on the local shear rate. Interestingly, the rate dependence of the slip length obtained in steady shear flows is recovered when the slip length in oscillatory flows is plotted as a function of the local shear rate magnitude. For both types of flows, the friction coefficient at the liquid-solid interface correlates well with the structure of the first fluid layer near the solid wall.

  12. Thermodynamics of accuracy in kinetic proofreading: Dissipation and efficiency trade-offs

    E-Print Network [OSTI]

    Rao, Riccardo

    2015-01-01T23:59:59.000Z

    The high accuracy exhibited by biological information transcription processes is due to kinetic proofreading, i.e., by a mechanism which reduces the error rate of the information-handling process by driving it out of equilibrium. We provide a consistent thermodynamic description of enzyme-assisted assembly processes involving competing substrates, in a Master Equation framework. We introduce and evaluate a measure of the efficiency based on rigorous non-equilibrium inequalities. The performance of several proofreading models are thus analyzed and the related time, dissipation and efficiency vs. error trade-offs exhibited for different discrimination regimes. We finally introduce and analyze in the same framework a simple model which takes into account correlations between consecutive enzyme-assisted assembly steps. This work highlights the relevance of the distinction between energetic and kinetic discrimination regimes in enzyme-substrate interactions.

  13. Geometrically-protected reversibility in hydrodynamic Loschmidt-echo experiments

    E-Print Network [OSTI]

    Jeanneret, Raphaël

    2014-01-01T23:59:59.000Z

    We demonstrate an archetypal Loschmidt-echo experiment involving thousands of droplets which interact in a reversible fashion via a viscous fluid. Firstly, we show that, unlike equilibrium systems, periodically driven microfluidic emulsions self-organize and geometrically protect their macroscopic reversibility. Self-organization is not merely dynamical; we show that it has a clear structural signature akin to that found in a mixture of molecular liquids. Secondly, we show that, above a maximal shaking amplitude, structural order and reversibility are lost simultaneously in the form of a first order non-equilibrium phase transition. We account for this discontinuous transition in terms of a memory-loss process. Finally, we suggest potential applications of microfluidic echo as a robust tool to tailor colloidal self-assembly at large scales.

  14. Slip-Mediated Dewetting of Polymer Microdroplets

    E-Print Network [OSTI]

    McGraw, Joshua D; Maurer, Simon; Salez, Thomas; Benzaquen, Michael; Raphaël, Élie; Brinkmann, Martin; Jacobs, Karin

    2015-01-01T23:59:59.000Z

    Classical models for wetting predict that an infinite work is required to move a three-phase contact line, defined as the line where a liquid-vapor interface intersects a solid surface. Assuming a slip boundary condition, in which the liquid slides against the solid, such an unphysical prediction is avoided. In this article, we present the results of experiments in which a contact line moves and where slip is a dominating and controllable factor. Spherical cap shaped polystyrene microdroplets, with non-equilibrium contact angle, are placed on solid self-assembled monolayer coatings from which they dewet. The relaxation is monitored using \\textit{in situ} atomic force microscopy, and the results are in agreement with scaling analysis and boundary element numerical integration of the governing Stokes equations, including a Navier slip boundary condition. We find that slip has a strong influence on the droplet evolutions, both on the transient non-spherical shapes and contact line dynamics.

  15. Enhanced thermoelectric properties in hybrid graphene-boron nitride nanoribbons

    E-Print Network [OSTI]

    Yang, Kaike; D'Agosta, Roberto; Xie, Yuee; Zhong, Jianxin; Rubio, Angel

    2012-01-01T23:59:59.000Z

    The thermoelectric properties of hybrid graphene-boron nitride nanoribbons (BCNNRs) are investigated using the non-equilibrium Green's function (NEGF) approach. We find that the thermoelectric figure of merit (ZT) can be remarkably enhanced by periodically embedding hexagonal BN (h-BN) into graphene nanoribbons (GNRs). Compared to pristine GNRs, the ZT for armchair-edged BCNNRs with width index 3p+2 is enhanced up to 10~20 times while the ZT of nanoribbons with other widths is enhanced just by 1.5~3 times. As for zigzag-edge nanoribbons, the ZT is enhanced up to 2~3 times. This improvement comes from the combined increase in the Seebeck coefficient and the reduction in the thermal conductivity outweighing the decrease in the electrical conductance. In addition, the effect of component ratio of h-BN on the thermoelectric transport properties is discussed. These results qualify BCNNRs as a promising candidate for building outstanding thermoelectric devices.

  16. Fluctuating hydrodynamics of multispecies mixtures. I. Non-reacting Flows

    E-Print Network [OSTI]

    Balakrishnan, Kaushik; Donev, Aleksandar; Bell, John B

    2013-01-01T23:59:59.000Z

    In this paper we discuss the formulation of the fluctuating Navier-Stokes (FNS) equations for multi-species, non-reactive fluids. In particular, we establish a form suitable for numerical solution of the resulting stochastic partial differential equations. An accurate and efficient numerical scheme, based on our previous methods for single species and binary mixtures, is presented and tested at equilibrium as well as for a variety of non-equilibrium problems. These include the study of giant nonequilibrium concentration fluctuations in a ternary mixture in the presence of a diffusion barrier, the triggering of a Rayleigh-Taylor instability by diffusion in a four-species mixture, as well as reverse diffusion in a ternary mixture. Good agreement with theory and experiment demonstrates that the formulation is robust and can serve as a useful tool in the study of thermal fluctuations for multi- species fluids. The extension to include chemical reactions will be treated in a sequel paper.

  17. Local scale invariance and its applications to strongly anisotropic critical phenomena

    E-Print Network [OSTI]

    Malte Henkel; Alan Picone; Michel Pleimling; Jeremie Unterberger

    2003-07-25T23:59:59.000Z

    The generalization of dynamical scaling to local scale invariance is reviewed. Starting from a recapitulation of the phenomenology of ageing phenomena, the generalization of dynamical scaling to local scale transformation for any given dynamical exponent $z$ is described and the two distinct types of local scale invariance are presented. The special case $z=2$ and the associated Ward identity of Schr\\"odinger invariance is treated. Local scale invariance predicts the form of the two-point functions. Existing confirmations of these predictions for (I) the Lifshitz points in spin systems with competing interactions such as the ANNNI model and (II) non-equilibrium ageing phenomena as occur in the kinetic Ising model with Glauber dynamics are described.

  18. Quantum Friction: Cooling Quantum Systems with Unitary Time Evolution

    E-Print Network [OSTI]

    Aurel Bulgac; Michael McNeil Forbes; Kenneth J. Roche; Gabriel Wlaz?owski

    2013-05-29T23:59:59.000Z

    We introduce a type of quantum dissipation -- local quantum friction -- by adding to the Hamiltonian a local potential that breaks time-reversal invariance so as to cool the system. Unlike the Kossakowski-Lindblad master equation, local quantum friction directly effects unitary evolution of the wavefunctions rather than the density matrix: it may thus be used to cool fermionic many-body systems with thousands of wavefunctions that must remain orthogonal. In addition to providing an efficient way to simulate quantum dissipation and non-equilibrium dynamics, local quantum friction coupled with adiabatic state preparation significantly speeds up many-body simulations, making the solution of the time-dependent Schr\\"odinger equation significantly simpler than the solution of its stationary counterpart.

  19. Phase Transformations in Confined Nanosystems

    SciTech Connect (OSTI)

    Shield, Jeffrey E. [Department of Mechanical & Materials Engineering] [Department of Mechanical & Materials Engineering; Belashchenko, Kirill [Department of Physics & Astronomy] [Department of Physics & Astronomy

    2014-04-29T23:59:59.000Z

    This project discovered that non-equilibrium structures, including chemically ordered structures not observed in bulk systems, form in isolated nanoscale systems. Further, a generalized model was developed that effectively explained the suppression of equilibrium phase transformations. This thermodynamic model considered the free energy decrease associated with the phase transformation was less than the increase in energy associated with the formation of an interphase interface, therefore inhibiting the phase transformation. A critical diameter exists where the system transitions to bulk behavior, and a generalized equation was formulated that successfully predicted this transition in the Fe-Au system. This provided and explains a new route to novel structures not possible in bulk systems. The structural characterization was accomplished using transmission electron microscopy in collaboration with Matthew Kramer of Ames Laboratory. The PI and graduate student visited Ames Laboratory several times a year to conduct the experiments.

  20. Amplification of Pressure Waves during Vibrational Equilibration of Excited Chemical Reaction Products

    SciTech Connect (OSTI)

    Tarver, C M

    2004-05-11T23:59:59.000Z

    The Non-Equilibrium Zeldovich - von Neumann - Doring (NEZND) theory of self-sustaining detonation identified amplification of pressure wavelets during equilibration of vibrationally excited reaction products in the reaction zone as the physical mechanism by which exothermic chemical energy release sustains detonation waves. This mechanism leads to the formation of the well-known, complex three-dimensional structure of a self-sustaining detonation wave. This amplification mechanism is postulated to be a general property of subsonic and supersonic reactive flows occurring during: shock to detonation transition (SDT); hot spot ignition and growth; deflagration to detonation transition (DDT); flame acceleration by shock or compression waves; and acoustic (sound) wave amplification. The existing experimental and theoretical evidence for pressure wave amplification by chemical energy release into highly vibrationally excited product molecules under these reactive flow conditions is reviewed in this paper.

  1. Bulk Viscosity and Particle Creation in the Inflationary Cosmology

    E-Print Network [OSTI]

    Mehdi Eshaghi; Nematollah Riazi; Ahmad Kiasatpour

    2015-04-29T23:59:59.000Z

    We study particle creation in the presence of bulk viscosity of cosmic fluid in the early universe within the framework of open thermodynamical systems. Since the first-order theory of non-equilibrium thermodynamics is non-causal and unstable, we try to solve the bulk viscosity equation of the cosmic fluid with particle creation through the full causal theory. By adopting an appropriate function for particle creation rate of "Creation of Cold Dark Matter" model, we obtain analytical solutions which do not suffer from the initial singularity and are in agreement with equivalent solutions of Lambda-CDM model. We constrain the free parameter of particle creation in our model based on recent Planck data. It is also found that the inflationary solution is driven by bulk viscosity with or without particle creation.

  2. Bulk Viscosity and Particle Creation in the Inflationary Cosmology

    E-Print Network [OSTI]

    Eshaghi, Mehdi; Kiasatpour, Ahmad

    2015-01-01T23:59:59.000Z

    We study particle creation in the presence of bulk viscosity of cosmic fluid in the early universe within the framework of open thermodynamical systems. Since the first-order theory of non-equilibrium thermodynamics is non-causal and unstable, we try to solve the bulk viscosity equation of the cosmic fluid with particle creation through the full causal theory. By adopting an appropriate function for particle creation rate of "Creation of Cold Dark Matter" model, we obtain analytical solutions which do not suffer from the initial singularity and are in agreement with equivalent solutions of Lambda-CDM model. We constrain the free parameter of particle creation in our model based on recent Planck data. It is also found that the inflationary solution is driven by bulk viscosity with or without particle creation.

  3. Primordial Star Forming Regions in a CDM Universe

    E-Print Network [OSTI]

    Yu Zhang; Michael L. Norman; Peter Anninos; Tom Abel

    1996-11-26T23:59:59.000Z

    We developed a three-dimensional 2-level hierarchical cosmological code with a realistic and robust treatment of multi-species non-equilibrium ionization and radiative cooling processes, and use it to investigate primordial star forming regions that originate from high-\\sigma perturbations in a standard CDM dominated cosmology. We find it is possible to produce gravitationally bound and cooled structures at very high redshift (z ~ 40) with baryonic masses as small as ~1000Ms. The molecular hydrogen formation in these small scale structures follows very well the analytical predictions of Abel (1995) and Tegmark et al. (1996). We also discuss the minimum mass that cosmological structures must have in order to be able to cool and collapse.

  4. Thermal machines beyond the weak coupling regime

    E-Print Network [OSTI]

    R. Gallego; A. Riera; J. Eisert

    2014-11-13T23:59:59.000Z

    How much work can be extracted from a heat bath using a thermal machine? The study of this question has a very long tradition in statistical physics in the weak-coupling limit, applied to macroscopic systems. However, the assumption that thermal heat baths remain uncorrelated with physical systems at hand is less reasonable on the nano-scale and in the quantum setting. In this work, we establish a framework of work extraction in the presence of quantum correlations. We show in a mathematically rigorous and quantitative fashion that quantum correlations and entanglement emerge as a limitation to work extraction compared to what would be allowed by the second law of thermodynamics. At the heart of the approach are operations that capture naturally non-equilibrium dynamics encountered when putting physical systems into contact with each other. We discuss various limits that relate to known results and put our work into context of approaches to finite-time quantum thermodynamics.

  5. Lattice thermal conductivity of UO{sub 2} using ab-initio and classical molecular dynamics

    SciTech Connect (OSTI)

    Kim, Hyoungchul [Department of Mechanical Engineering, University of Michigan, Ann Arbor, Michigan 48109 (United States); High-Temperature Energy Materials Research Center, Korea Institute of Science and Technology, Seoul 136–791 (Korea, Republic of); Kim, Moo Hwan [Division of Advanced Nuclear Engineering, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Kaviany, Massoud, E-mail: kaviany@umich.edu [Department of Mechanical Engineering, University of Michigan, Ann Arbor, Michigan 48109 (United States); Division of Advanced Nuclear Engineering, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of)

    2014-03-28T23:59:59.000Z

    We applied the non-equilibrium ab-initio molecular dynamics and predict the lattice thermal conductivity of the pristine uranium dioxide for up to 2000?K. We also use the equilibrium classical molecular dynamics and heat-current autocorrelation decay theory to decompose the lattice thermal conductivity into acoustic and optical components. The predicted optical phonon transport is temperature independent and small, while the acoustic component follows the Slack relation and is in good agreement with the limited single-crystal experimental results. Considering the phonon grain-boundary and pore scatterings, the effective lattice thermal conductivity is reduced, and we show it is in general agreement with the sintered-powder experimental results. The charge and photon thermal conductivities are also addressed, and we find small roles for electron, surface polaron, and photon in the defect-free structures and for temperatures below 1500?K.

  6. Response to “Comment on ‘Twin symmetry texture of energetically condensed niobium thin films on sapphire substrate’ ” [J. Appl. Phys. 112, 016101 (2012)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhao, X.; Philips, L.; Reece, C. E.; Seo, Kang; Krishnan, M.; Valderrama, E.

    2012-01-01T23:59:59.000Z

    Welander is correct about the misidentified crystal-directions in the top-view sapphire lattice (Fig. 4 [Zhao et al., J. Appl. Phys. 110, 033523 (2011)]). He is also correct about the misorientation of the pole figures in Fig. 4. In Fig. 1 of this response, we have corrected these errors. Perhaps because of these errors, Welander misconstrued our discussion of the Nbcrystal growth as claiming a new 3D registry. That was not our intention. Rather, we wished to highlight the role of energetic condensation that drives low-defect crystal growth by a combination of non-equilibrium sub-plantation that disturbs the substrate lattice and thermal annealing that annihilates defects and promotes large-grain crystal growth.

  7. Theory of phonon dynamics in an ion trap

    E-Print Network [OSTI]

    Dutta, T; Sengupta, K

    2015-01-01T23:59:59.000Z

    We develop a theory to address the non-equilibrium dynamics of phonons in a one-dimensional trapped ion system. We elaborate our earlier results obtained in Phys. Rev. Lett. {\\bf 111}, 170406 (2013) to chart out the mechanism of dynamics-induced cooling and entanglement generation between phonons in these systems when subjected to a linear ramp protocol inducing site-specific tuning of on-site interactions between the phonons. We further extend these studies to non-linear ramps and periodic drive protocols and identify the optimal ramp protocol for minimal cooling and entanglement generation time. We qualitatively address the effect of noise arising out of fluctuation of the intensity of the laser used to generate entanglement and provide a detailed discussion of a realistic experimental setup which may serve as a test bed for our theory.

  8. A boron nitride nanotube peapod thermal rectifier

    SciTech Connect (OSTI)

    Loh, G. C., E-mail: jgloh@mtu.edu [Department of Physics, Michigan Technological University, Houghton, Michigan 49931 (United States); Institute of High Performance Computing, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632 (Singapore); Baillargeat, D. [CNRS-International-NTU-Thales Research Alliance (CINTRA), 50 Nanyang Drive, Singapore 637553 (Singapore)

    2014-06-28T23:59:59.000Z

    The precise guidance of heat from one specific location to another is paramount in many industrial and commercial applications, including thermal management and thermoelectric generation. One of the cardinal requirements is a preferential conduction of thermal energy, also known as thermal rectification, in the materials. This study introduces a novel nanomaterial for rectifying heat—the boron nitride nanotube peapod thermal rectifier. Classical non-equilibrium molecular dynamics simulations are performed on this nanomaterial, and interestingly, the strength of the rectification phenomenon is dissimilar at different operating temperatures. This is due to the contingence of the thermal flux on the conductance at the localized region around the scatterer, which varies with temperature. The rectification performance of the peapod rectifier is inherently dependent on its asymmetry. Last but not least, the favourable rectifying direction in the nanomaterial is established.

  9. Experimental demonstration of hot-carrier photo-current in an InGaAs quantum well solar cell

    SciTech Connect (OSTI)

    Hirst, L. C.; Walters, R. J. [U.S. Naval Research Laboratory, 4555 Overlook Ave. SW., Washington, DC 20375 (United States); Führer, M. F.; Ekins-Daukes, N. J. [Imperial College London, London SW7 2AZ (United Kingdom)

    2014-06-09T23:59:59.000Z

    An unambiguous observation of hot-carrier photocurrent from an InGaAs single quantum well solar cell is reported. Simultaneous photo-current and photoluminescence measurements were performed for incident power density 0.04–3?kW cm{sup ?2}, lattice temperature 10?K, and forward bias 1.2?V. An order of magnitude photocurrent increase was observed for non-equilibrium hot-carrier temperatures >35?K. This photocurrent activation temperature is consistent with that of equilibrium carriers in a lattice at elevated temperature. The observed hot-carrier photo-current is extracted from the well over an energy selective GaAs barrier, thus integrating two essential components of a hot-carrier solar cell: a hot-carrier absorber and an energy selective contact.

  10. Band filling effects on temperature performance of intermediate band quantum wire solar cells

    SciTech Connect (OSTI)

    Kunets, Vas. P., E-mail: vkunets@uark.edu; Furrow, C. S.; Ware, M. E.; Souza, L. D. de; Benamara, M.; Salamo, G. J. [Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701 (United States); Mortazavi, M. [Department of Chemistry and Physics, University of Arkansas at Pine Bluff, Pine Bluff, Arkansas 71601 (United States)

    2014-08-28T23:59:59.000Z

    Detailed studies of solar cell efficiency as a function of temperature were performed for quantum wire intermediate band solar cells grown on the (311)A plane. A remotely doped one-dimensional intermediate band made of self-assembled In{sub 0.4}Ga{sub 0.6}As quantum wires was compared to an undoped intermediate band and a reference p-i-n GaAs sample. These studies indicate that the efficiencies of these solar cells depend on the population of the one-dimensional band by equilibrium free carriers. A change in this population by free electrons under various temperatures affects absorption and carrier transport of non-equilibrium carriers generated by incident light. This results in different efficiencies for both the doped and undoped intermediate band solar cells in comparison with the reference GaAs p-i-n solar cell device.

  11. The free energy cost of reducing noise while maintaining a high sensitivity

    E-Print Network [OSTI]

    Pablo Sartori; Yuhai Tu

    2015-05-27T23:59:59.000Z

    Living systems need to be highly responsive, and also to keep fluctuations low. These goals are incompatible in equilibrium systems due to the Fluctuation Dissipation Theorem (FDT). Here, we show that biological sensory systems, driven far from equilibrium by free energy consumption, can reduce their intrinsic fluctuations while maintaining high responsiveness. By developing a continuum theory of the E. coli chemotaxis pathway, we demonstrate that adaptation can be understood as a non-equilibrium phase transition controlled by free energy dissipation, and it is characterized by a breaking of the FDT. We show that the maximum response at short time is enhanced by free energy dissipation. At the same time, the low frequency fluctuations and the adaptation error decrease with the free energy dissipation algebraically and exponentially, respectively.

  12. Evolution of (001) and (111) facets for selective epitaxial growth inside submicron trenches

    SciTech Connect (OSTI)

    Jiang, S., E-mail: jiang@imec.be; Heyns, M., E-mail: marc.heyns@imec.be [IMEC, Kapeldreef 75, B-3001 Heverlee (Belgium); Department of Metallurgy and Materials Engineering, KULeuven, Kasteelpark Arenberg 44-bus 2450, B-3001 Heverlee (Belgium); Merckling, C.; Guo, W.; Waldron, N.; Caymax, M. [IMEC, Kapeldreef 75, B-3001 Heverlee (Belgium); Vandervorst, W. [IMEC, Kapeldreef 75, B-3001 Heverlee (Belgium); Department of Physics and Astronomy, KULeuven, Celestijnenlaan 200D-bus 2418, B-3001 Heverlee (Belgium); Seefeldt, M. [Department of Metallurgy and Materials Engineering, KULeuven, Kasteelpark Arenberg 44-bus 2450, B-3001 Heverlee (Belgium)

    2014-01-14T23:59:59.000Z

    The evolution of (001) and (111) facets for the epitaxial growth inside submicron trenches is systematically studied in this report. The analysis with the method of “Lagrange multiplier” indicates the equilibrium crystal shape. In the case of non-equilibrium without external fluxes, we employed the “weighted mean curvature” method to mathematically model the inter-facet migration rate for two extreme kinetic cases: “surface diffusion limited” and “surface attachment/detachment limited.” Coupled with external supply of atoms, the self-limited behavior of facet size is theoretically predicted. Moreover, we find that the self-limited stable facet size in trenches of different widths has a specific relationship determined by the surface energy ratio, kinetic rate ratio, and isolated growth rate difference. The two limited cases could be discriminated according to the mathematical fitting of one exponent in this relationship based on the stable facet size in trenches of different widths.

  13. Model for Dynamic Self-Assembled Magnetic Surface Structures

    E-Print Network [OSTI]

    M. Belkin; A. Glatz; A. Snezhko; I. S. Aranson

    2010-02-02T23:59:59.000Z

    We propose a first-principles model for self-assembled magnetic surface structures on the water-air interface reported in earlier experiments \\cite{snezhko2,snezhko4}. The model is based on the Navier-Stokes equation for liquids in shallow water approximation coupled to Newton equations for interacting magnetic particles suspended on the water-air interface. The model reproduces most of the observed phenomenology, including spontaneous formation of magnetic snake-like structures, generation of large-scale vortex flows, complex ferromagnetic-antiferromagnetic ordering of the snake, and self-propulsion of bead-snake hybrids. The model provides valuable insights into self-organization phenomena in a broad range of non-equilibrium magnetic and electrostatic systems with competing interactions.

  14. A SEARCH FOR CO-EVOLVING ION AND NEUTRAL GAS SPECIES IN PRESTELLAR MOLECULAR CLOUD CORES

    SciTech Connect (OSTI)

    Tassis, Konstantinos; Hezareh, Talayeh [Max-Planck Institut fuer Radioastronomie, D-53121 Bonn (Germany); Willacy, Karen [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States)

    2012-11-20T23:59:59.000Z

    A comparison between the widths of ion and neutral molecule spectral lines has been recently used to estimate the strength of the magnetic field in turbulent star-forming regions. However, the ion (HCO{sup +}) and neutral (HCN) species used in such studies may not be necessarily co-evolving at every scale and density, and thus, may not trace the same regions. Here, we use coupled chemical/dynamical models of evolving prestellar molecular cloud cores including non-equilibrium chemistry, with and without magnetic fields, to study the spatial distribution of HCO{sup +} and HCN, which have been used in observations of spectral line width differences to date. In addition, we seek new ion-neutral pairs that are good candidates for such observations, because they have similar evolution and are approximately co-spatial in our models. We identify three such good candidate pairs: HCO{sup +}/NO, HCO{sup +}/CO, and NO{sup +}/NO.

  15. Rings in Random Environments: Sensing Disorder Through Topology

    E-Print Network [OSTI]

    Davide Michieletto; Marco Baiesi; Enzo Orlandini; Matthew S. Turner

    2014-12-10T23:59:59.000Z

    In this paper we study the role of topology in DNA gel electrophoresis experiments via molecular dynamics simulations. The gel is modelled as a 3D array of obstacles from which half edges are removed at random with probability p, thereby generating a disordered environment. Changes in the microscopic structure of the gel are captured by measuring the electrophoretic mobility of ring polymers moving through the medium, while their linear counterparts provide a control system as we show they are insensitive to these changes. We show that ring polymers provide a novel non-invasive way of exploiting topology to sense microscopic disorder. Finally, we compare the results from the simulations with an analytical model for the non-equilibrium differential mobility, and find a striking agreement between simulation and theory

  16. Exploring the mechanisms of protein folding

    E-Print Network [OSTI]

    Xu, Ji; Ren, Ying; Li, Jinghai

    2013-01-01T23:59:59.000Z

    Neither of the two prevalent theories, namely thermodynamic stability and kinetic stability, provides a comprehensive understanding of protein folding. The thermodynamic theory is misleading because it assumes that free energy is the exclusive dominant mechanism of protein folding, and attributes the structural transition from one characteristic state to another to energy barriers. Conversely, the concept of kinetic stability overemphasizes dominant mechanisms that are related to kinetic factors. This article explores the stability condition of protein structures from the viewpoint of meso-science, paying attention to the compromise in the competition between minimum free energy and other dominant mechanisms. Based on our study of complex systems, we propose that protein folding is a meso-scale, dissipative, nonlinear and non-equilibrium process that is dominated by the compromise between free energy and other dominant mechanisms such as environmental factors. Consequently, a protein shows dynamic structures,...

  17. Evolution of the electron energy distribution function during genesis of breakdown plasma

    SciTech Connect (OSTI)

    Bhattacharjee, Sudeep; Paul, Samit; Ghosh, Sayandip [Department of Physics, Indian Institute of Technology – Kanpur, Kanpur 208016 (India)

    2014-08-15T23:59:59.000Z

    During the process of plasma initiation by an electromagnetic wave, it is found that the electron energy distribution function (EEDF) that is initially Maxwellian with the most probable energy at room temperature, evolves with time and tends toward a Bi-Maxwellian?–?indicating attainment of thermodynamic equilibrium in the individual electron populations prior to breakdown, with a significant increase in hot electron density. In the intermediate states during the evolution, however, non-equilibrium processes are prevalent under fast pulse excitation and the EEDF initially exhibits substantial deviation from a Maxwellian. An analysis of the deviation has been carried out by optimizing the residual sum of squares of the probabilities obtained from the simulation and a fitted Maxwellian curve. The equilibrium regain time defined as the time required to attain thermodynamic equilibrium again, is investigated as a function of neutral pressure, wave electric, and external magnetostatic fields.

  18. Thermal Properties of Methane Hydrate by Experiment and Modeling and Impacts on Technology

    SciTech Connect (OSTI)

    Warzinski, R.P.; Gamwo, I.K.; Rosenbaum, E.M.; Jiang, Hao; Jordan, K.D.; English, N.J. (Univ. College Dublin, IRELAND); Shaw, D.W. (Geneva College, Beaver Falls, PA)

    2008-07-01T23:59:59.000Z

    Thermal properties of pure methane hydrate, under conditions similar to naturally occurring hydrate-bearing sediments being considered for potential production, have been determined both by a new experimental technique and by advanced molecular dynamics simulation (MDS). A novel single-sided, Transient Plane Source (TPS) technique has been developed and used to measure thermal conductivity and thermal diffusivity values of low-porosity methane hydrate formed in the laboratory. The experimental thermal conductivity data are closely matched by results from an equilibrium MDS method using in-plane polarization of the water molecules. MDS was also performed using a non-equilibrium model with a fully polarizable force field for water. The calculated thermal conductivity values from this latter approach were similar to the experimental data. The impact of thermal conductivity on gas production from a hydrate-bearing reservoir was also evaluated using the Tough+/Hydrate reservoir simulator.

  19. Studies of parallel algorithms for the solution of a Fokker-Planck equation

    SciTech Connect (OSTI)

    Deck, D. [Los Alamos National Lab., NM (United States); Samba, G. [CEA/CEL-V, Villeneuve St. Georges (France). Dept. de Mathematiques Appliquees

    1995-11-01T23:59:59.000Z

    The study of laser-created plasmas often requires the use of a kinetic model rather than a hydrodynamic one. This model change occurs, for example, in the hot spot formation in an ICF experiment or during the relaxation of colliding plasmas. When the gradients scalelengths or the size of a given system are not small compared to the characteristic mean-free-path, we have to deal with non-equilibrium situations, which can be described by the distribution functions of every species in the system. We present here a numerical method in plane or spherical 1-D geometry, for the solution of a Fokker-Planck equation that describes the evolution of stich functions in the phase space. The size and the time scale of kinetic simulations require the use of Massively Parallel Computers (MPP). We have adopted a message-passing strategy using Parallel Virtual Machine (PVM).

  20. Symmetry Relations for Trajectories of a Brownian Motor

    E-Print Network [OSTI]

    R. Dean Astumian

    2007-05-15T23:59:59.000Z

    A Brownian Motor is a nanoscale or molecular device that combines the effects of thermal noise, spatial or temporal asymmetry, and directionless input energy to drive directed motion. Because of the input energy, Brownian motors function away from thermodynamic equilibrium and concepts such as linear response theory, fluctuation dissipation relations, and detailed balance do not apply. The {\\em generalized} fluctuation-dissipation relation, however, states that even under strongly thermodynamically non-equilibrium conditions the ratio of the probability of a transition to the probability of the time-reverse of that transition is the exponent of the change in the internal energy of the system due to the transition. Here, we derive an extension of the generalized fluctuation dissipation theorem for a Brownian motor for the ratio between the probability for the motor to take a forward step and the probability to take a backward step.

  1. Transverse conductance of DNA nucleotides in a graphene nanogap from first principles

    E-Print Network [OSTI]

    Prasongkit, Jariyanee; Pathak, Biswarup; Ahuja, Rajeev; Scheicher, Ralph H

    2010-01-01T23:59:59.000Z

    The fabrication of solid-state nanopores is becoming increasingly sophisticated. Recently, nanopores were successfully created in graphene and translocation of DNA has been demonstrated. Taken together with an earlier proposal to use graphene nanogaps for the purpose of DNA sequencing, this atomically thin carbon material is becoming recognized as a possible solution to several of the technical issues in electronic nucleobase detection, in particular that of single-base resolution. We have used density functional theory and the non-equilibrium Green's function method to investigate the transverse conductance properties of nucleotides inside a graphene nanogap. In particular, we determined the variation in the transmission function at both zero bias and finite bias due to changes in the nucleotides orientation and lateral position. Although the resulting tunneling current is found to fluctuate over several orders of magnitudes, a distinction between the four DNA bases appears possible, and the graphene nanogap...

  2. Transverse Electronic Transport through DNA Nucleotides with Functionalized Graphene Electrodes

    E-Print Network [OSTI]

    Prasongkit, Jariyanee; Pathak, Biswarup; Ahuja, Rajeev; Scheicher, Ralph H

    2013-01-01T23:59:59.000Z

    Graphene nanogaps and nanopores show potential for the purpose of electrical DNA sequencing, in particular because single-base resolution appears to be readily achievable. Here, we evaluated from first principles the advantages of a nanogap setup with functionalized graphene edges. To this end, we employed density functional theory and the non-equilibrium Green's function method to investigate the transverse conductance properties of the four nucleotides occurring in DNA when located between the opposing functionalized graphene electrodes. In particular, we determined the electrical tunneling current variation as a function of the applied bias and the associated differential conductance at a voltage which appears suitable to distinguish between the four nucleotides. Intriguingly, we observe for one of the nucleotides a negative differential resistance effect.

  3. Efficient drug delivery mechanisms of liposomes with tethered biopolymer brushes in aqueous solution using dissipative particle dynamics simulations

    E-Print Network [OSTI]

    Goicochea, A Gama; Klapp, J; Pastorino, C

    2013-01-01T23:59:59.000Z

    We undertake the investigation of model liposomes covered with polyethylene glycol brushes as a case study for the mechanisms of efficient drug delivery in biologically relevant situations.Extensive non- equilibrium, coarse grained dissipative particle dynamics simulations of polymer brushes of various lengths and shear rates are performed, having in mind polymer brushes covering the surfaces of drug carrying liposomes in the human circulatory system.In particular, we calculate the viscosity and the friction coefficient for polymer brushes as functions of the shear rate and polymerization degree under theta solvent conditions, and find that the liposome brushes experience considerable shear thinning at large shear rates. The viscosity is shown to obey a scaling law at high shear rate irrespective of the brushes degree of polymerization. A new general scaling relation is obtained for the viscosity at high shear rates. These results reproduce very well trends in recent drug delivering experiments.

  4. Double Gated Single Molecular Transistor for Charge Detection

    E-Print Network [OSTI]

    S. J. Ray; R. Chowdhury

    2014-11-09T23:59:59.000Z

    The electrostatic behaviour of an 1,3-Cyclobutadiene (C$_{4}$H$_{4}$) based Single Molecular Transistor (SMT) has been investigated using the first principle calculation based on Density functional Theory and non-equilibrium Green's function approach. While the molecule is placed on top of a dielectric layer (backed by a metallic gate) and weakly coupled between the Source/Drain electrodes, the charge stability diagram revealed the presence of individual charge states in the Coulomb Blockade regime. This gets affected significantly on addition of an another gate electrode placed on the top of the molecule. This modified double-gated geometry allows additional control of the total energy of the system that is sensitive to the individual charge states of the molecule which can be used as a charge sensing technique operational at room temperature.

  5. Geometric universality of currents in an open network of interacting particles

    SciTech Connect (OSTI)

    Sinitsyn, Nikolai A [Los Alamos National Laboratory; Chernyak, Vladimir Y [Los Alamos National Laboratory; Chertkov, Michael [Los Alamos National Laboratory

    2010-01-01T23:59:59.000Z

    We discuss a non-equilibrium statistical system on a graph or network. Identical particles are injected, interact with each other, traverse, and leave the graph in a stochastic manner described in terms of Poisson rates, possibly dependent on time and instantaneous occupation numbers at the nodes of the graph. We show that under the assumption of the relative rates constancy, the system demonstrates a profound statistical symmetry, resulting in geometric universality of the particle currents statistics. The phenomenon applies broadly to many man-made and natural open stochastic systems, such as queuing of packages over internet, transport of electrons and quasi-particles in mesoscopic systems, and chains of reactions in bio-chemical networks. We illustrate the utility of the general approach using two enabling examples from the two latter disciplines.

  6. Parametric Sensitivity Analysis for Stochastic Molecular Systems using Information Theoretic Metrics

    E-Print Network [OSTI]

    Tsourtis, Anastasios; Katsoulakis, Markos A; Harmandaris, Vagelis

    2014-01-01T23:59:59.000Z

    In this paper we extend the parametric sensitivity analysis (SA) methodology proposed in Ref. [Y. Pantazis and M. A. Katsoulakis, J. Chem. Phys. 138, 054115 (2013)] to continuous time and continuous space Markov processes represented by stochastic differential equations and, particularly, stochastic molecular dynamics as described by the Langevin equation. The utilized SA method is based on the computation of the information-theoretic (and thermodynamic) quantity of relative entropy rate (RER) and the associated Fisher information matrix (FIM) between path distributions. A major advantage of the pathwise SA method is that both RER and pathwise FIM depend only on averages of the force field therefore they are tractable and computable as ergodic averages from a single run of the molecular dynamics simulation both in equilibrium and in non-equilibrium steady state regimes. We validate the performance of the extended SA method to two different molecular stochastic systems, a standard Lennard-Jones fluid and an al...

  7. Absence of jamming in ant trails: Feedback control of self propulsion and noise

    E-Print Network [OSTI]

    Chaudhuri, Debasish

    2014-01-01T23:59:59.000Z

    We present a model of ant traffic considering individual ants as self-propelled particles undergoing single file motion on a one-dimensional trail. Recent experiments on unidirectional ant traffic in well-formed natural trails showed that the collective velocity of ants remains approximately unchanged, leading to absence of jamming even at very high densities [ John et. al., Phys. Rev. Lett. 102, 108001 (2009) ]. Assuming a feedback control mechanism of self-propulsion force generated by each ant using information about the distance from the ant in front, our model captures all the main features observed in the experiment. The distance headway distribution shows a maximum corresponding to separations within clusters. The position of this maximum remains independent of average number density. We find a non-equilibrium first order transition, with the formation of an infinite cluster at a threshold density where all the ants in the system suddenly become part of a single cluster.

  8. Causal dissipative hydrodynamics for QGP fluid in 2+1 dimensions

    E-Print Network [OSTI]

    A. K. Chaudhuri

    2007-08-01T23:59:59.000Z

    In 2nd order causal dissipative theory, space-time evolution of QGP fluid is studied in 2+1 dimensions. Relaxation equations for shear stress tensors are solved simultaneously with the energy-momentum conservation equations. Comparison of evolution of ideal and viscous QGP fluid, initialized under the same conditions, e.g. same equilibration time, energy density and velocity profile, indicate that in a viscous dynamics, energy density or temperature of the fluid evolve slowly, than in an ideal fluid. Cooling gets slower as viscosity increases. Transverse expansion also increases in a viscous dynamics. For the first time we have also studied elliptic flow of 'quarks' in causal viscous dynamics. It is shown that elliptic flow of quarks saturates due to non-equilibrium correction to equilibrium distribution function, and can not be mimicked by an ideal hydrodynamics.

  9. Cosmological Probes for Supersymmetry

    E-Print Network [OSTI]

    Khlopov, Maxim

    2015-01-01T23:59:59.000Z

    The multi-parameter character of supersymmetric dark-matter models implies the combination of their experimental studies with astrophysical and cosmological probes. The physics of the early Universe provides nontrivial effects of non-equilibrium particles and primordial cosmological structures. Primordial black holes (PBHs) are a profound signature of such structures that may arise as a cosmological consequence of supersymmetric (SUSY) models. SUSY-based mechanisms of baryosynthesis can lead to the possibility of antimatter domains in a baryon asymmetric Universe. In the context of cosmoparticle physics, which studies the fundamental relationship of the micro- and macro-worlds, the development of SUSY illustrates the main principles of this approach, as the physical basis of the modern cosmology provides cross-disciplinary tests in physical and astronomical studies.

  10. Resonant Relaxation in Electroweak Baryogenesis

    E-Print Network [OSTI]

    Lee, C; Ramsey-Musolf, M J; Lee, Christopher; Cirigliano, Vincenzo; Ramsey-Musolf, Michael J.

    2004-01-01T23:59:59.000Z

    We compute the leading, chiral charge-changing relaxation term in the quantum transport equations that govern electroweak baryogenesis using the closed time path formulation of non-equilibrium quantum field theory. We show that the relaxation transport coefficients may be resonantly enhanced under appropriate conditions on electroweak model parameters and that such enhancements can mitigate the impact of similar enhancements in the CP-violating source terms. We also develop a power counting in the time and energy scales entering electroweak baryogenesis and include effects through second order in ratios $\\epsilon$ of the small and large scales. We illustrate the implications of the resonantly enhanced ${\\cal O}(\\epsilon^2)$ terms using the Minimal Supersymmetric Standard Model, focusing on the interplay between the requirements of baryogenesis and constraints obtained from collider studies, precision electroweak data, and electric dipole moment searches.

  11. Influence of electron–phonon interactions in single dopant nanowire transistors

    SciTech Connect (OSTI)

    Carrillo-Nuñez, H., E-mail: carrillh@iis.ee.ethz.ch; Bescond, M., E-mail: marc.bescond@im2np.fr; Cavassilas, N.; Dib, E.; Lannoo, M. [IM2NP, UMR CNRS 6242, Bât. IRPHE, Technopôle de Château-Gombert, 13384 Marseille, Cedex 13 (France)

    2014-10-28T23:59:59.000Z

    Single dopant nanowire transistors can be viewed as the ultimate miniaturization of nano electronic devices. In this work, we theoretically investigate the influence of the electron-phonon coupling on their transport properties using a non-equilibrium Green's function approach in the self-consistent Born approximation. For an impurity located at the center of the wire we find that, at room temperature, acoustic phonons broaden the impurity level so that the bistability predicted in the ballistic regime is suppressed. Optical phonons are found to have a beneficial impact on carrier transport via a phonon-assisted tunneling effect. We discuss the position and temperature dependence of these effects, showing that such systems might be very promising for engineering of ultimate devices.

  12. COSMIC-RAY-MEDIATED FORMATION OF BENZENE ON THE SURFACE OF SATURN'S MOON TITAN

    SciTech Connect (OSTI)

    Zhou Li; Zheng Weijun; Kaiser, Ralf I. [Department of Chemistry, University of Hawaii at Manoa, Honolulu, HI (United States); Landera, Alexander; Mebel, Alexander M. [Department of Chemistry and Biochemistry, Florida International University, Miami, FL (United States); Liang, Mao-Chang [Research Center for Environmental Changes, Academia Sinica, Taipei, Taiwan (China); Yung, Yuk L. [Division of Geological and Planetary Sciences, Caltech, Pasadena, CA (United States)

    2010-08-01T23:59:59.000Z

    The aromatic benzene molecule (C{sub 6}H{sub 6})-a central building block of polycyclic aromatic hydrocarbon molecules-is of crucial importance for the understanding of the organic chemistry of Saturn's largest moon, Titan. Here, we show via laboratory experiments and electronic structure calculations that the benzene molecule can be formed on Titan's surface in situ via non-equilibrium chemistry by cosmic-ray processing of low-temperature acetylene (C{sub 2}H{sub 2}) ices. The actual yield of benzene depends strongly on the surface coverage. We suggest that the cosmic-ray-mediated chemistry on Titan's surface could be the dominant source of benzene, i.e., a factor of at least two orders of magnitude higher compared to previously modeled precipitation rates, in those regions of the surface which have a high surface coverage of acetylene.

  13. Ultrafast and steady-state laser heating effects on electron relaxation and phonon coupling mechanisms in thin gold films

    SciTech Connect (OSTI)

    Hopkins, Patrick E., E-mail: phopkins@virginia.edu [Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States); Duda, John C. [Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States) [Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States); Seagate Technology, Bloomington, Minnesota 55435 (United States); Kaehr, Bryan [Advanced Materials Laboratory, Sandia National Laboratories, Albuquerque, New Mexico 87106 (United States) [Advanced Materials Laboratory, Sandia National Laboratories, Albuquerque, New Mexico 87106 (United States); Department of Chemical and Nuclear Engineering, University of New Mexico, Albuquerque, New Mexico 87106 (United States); Wang Zhou, Xiao; Peter Yang, C.-Y.; Jones, Reese E. [Sandia National Laboratories, Livermore, California 94550 (United States)] [Sandia National Laboratories, Livermore, California 94550 (United States)

    2013-11-18T23:59:59.000Z

    We study the scattering mechanisms driving electron-phonon relaxation in thin gold films via pump-probe time-domain thermoreflectance. Electron-electron scattering can enhance the effective rate of electron-phonon relaxation when the electrons are out of equilibrium with the phonons. In order to correctly and consistently infer electron-phonon coupling factors in films on different substrates, we must account for the increase in steady-state lattice temperature due to laser heating. Our data provide evidence that a thermalized electron population will not directly exchange energy with the substrate during electron-phonon relaxation, whereas this pathway can exist between a non-equilibrium distribution of electrons and a non-metallic substrate.

  14. COSMOS: A Radiation-Chemo-Hydrodynamics Code for Astrophysical Problems

    E-Print Network [OSTI]

    Peter Anninos; P. Chris Fragile; Stephen D. Murray

    2003-03-10T23:59:59.000Z

    We have developed a new massively-parallel radiation-hydrodynamics code (Cosmos) for Newtonian and relativistic astrophysical problems that also includes radiative cooling, self-gravity, and non-equilibrium, multi-species chemistry. Several numerical methods are implemented for the hydrodynamics, including options for both internal and total energy conserving schemes. Radiation is treated using flux-limited diffusion. The chemistry incorporates 27 reactions, including both collisional and radiative processes for atomic hydrogen and helium gases, and molecular hydrogen chains. In this paper we discuss the equations and present results from test problems carried out to verify the robustness and accuracy of our code in the Newtonian regime. An earlier paper presented tests of the relativistic capabilities of Cosmos.

  15. COSMOS A Radiation-Chemo-Hydrodynamics Code for Astrophysical Problems

    E-Print Network [OSTI]

    Anninos, P; Murray, S D; Anninos, Peter; Murray, Stephen D.

    2003-01-01T23:59:59.000Z

    We have developed a new massively-parallel radiation-hydrodynamics code (Cosmos) for Newtonian and relativistic astrophysical problems that also includes radiative cooling, self-gravity, and non-equilibrium, multi-species chemistry. Several numerical methods are implemented for the hydrodynamics, including options for both internal and total energy conserving schemes. Radiation is treated using flux-limited diffusion. The chemistry incorporates 27 reactions, including both collisional and radiative processes for atomic hydrogen and helium gases, and molecular hydrogen chains. In this paper we discuss the equations and present results from test problems carried out to verify the robustness and accuracy of our code in the Newtonian regime. An earlier paper presented tests of the relativistic capabilities of Cosmos.

  16. Hydrocarbon sensors and materials therefor

    DOE Patents [OSTI]

    Pham, Ai Quoc (San Jose, CA); Glass, Robert S. (Livermore, CA)

    2000-01-01T23:59:59.000Z

    An electrochemical hydrocarbon sensor and materials for use in sensors. A suitable proton conducting electrolyte and catalytic materials have been found for specific application in the detection and measurement of non-methane hydrocarbons. The sensor comprises a proton conducting electrolyte sandwiched between two electrodes. At least one of the electrodes is covered with a hydrocarbon decomposition catalyst. Two different modes of operation for the hydrocarbon sensors can be used: equilibrium versus non-equilibrium measurements and differential catalytic. The sensor has particular application for on-board monitoring of automobile exhaust gases to evaluate the performance of catalytic converters. In addition, the sensor can be utilized in monitoring any process where hydrocarbons are exhausted, for instance, industrial power plants. The sensor is low cost, rugged, sensitive, simple to fabricate, miniature, and does not suffer cross sensitivities.

  17. Nonlinear Eigenmodes of a Polariton Harmonic Oscillator

    E-Print Network [OSTI]

    Florian Pinsker; and Tristram J. Alexander

    2015-01-28T23:59:59.000Z

    We investigate theoretically the quantum oscillator-like states recently observed experimentally in polariton condensates (Nat. Phys. 8, 190 (2012)). We consider a complex Gross-Pitaevskii type model which includes the effects of self-interactions, and creation and decay of exciton-polaritons. We develop a perturbation theory for approximate solutions to this non-equilibrium condensate model and compare the results with numerically calculated solutions for both repulsive and attractive polariton-polariton interactions. While the nonlinearity has a weak effect on the mode selection their density profiles are modified at moderate gain strengths and becomes more dominant when a very large gain of polaritons implies an extended cloud with high condensate densities. Finally, we identify the relation of the observed patterns to the input pump configuration, and suggest this may serve as a generalized NOR gate in the tradition of optical computing.

  18. Equilibration in low-dimensional quantum matrix models

    E-Print Network [OSTI]

    R. Hübener; Y. Sekino; J. Eisert

    2014-03-06T23:59:59.000Z

    Matrix models play an important role in studies of quantum gravity, being candidates for a formulation of M-theory, but are notoriously difficult to solve. In this work, we present a fresh approach by introducing a novel exact model provably equivalent with low-dimensional bosonic matrix models. In this equivalent model significant local structure becomes apparent and it can serve as a simple toy model for analytical and precise numerical study. We derive a substantial part of the low energy spectrum, find a conserved charge, and are able to derive numerically the Regge trajectories. To exemplify the usefulness of the approach, we address questions of equilibration starting from a non-equilibrium situation, building upon an intuition from quantum information. We finally discuss possible generalizations of the approach.

  19. Driven synchronization in random networks of oscillators

    E-Print Network [OSTI]

    Hindes, Jason

    2015-01-01T23:59:59.000Z

    Synchronization is a universal phenomenon found in many non-equilibrium systems. Much recent interest in this area has overlapped with the study of complex networks, where a major focus is determining how a system's connectivity patterns affect the types of behavior that it can produce. Thus far, modeling efforts have focused on the tendency of networks of oscillators to mutually synchronize themselves, with less emphasis on the effects of external driving. In this work we discuss the interplay between mutual and driven synchronization in networks of phase oscillators of the Kuramoto type, and resolve how the structure and emergence of such states depends on the underlying network topology for simple random networks with a given degree distribution. We provide a partial bifurcation analysis, centering on the appearance of a Takens-Bogdanov-Cusp singularity, which broadly separates homogeneous and heterogeneous network behavior in a weak coupling limit, and from which the number, stability and appearance of dr...

  20. Universal Ideal Behavior and Macroscopic Work Relation of Linear Irreversible Stochastic Thermodynamics

    E-Print Network [OSTI]

    Ma, Yi-An

    2015-01-01T23:59:59.000Z

    We revisit the Ornstein-Uhlenbeck (OU) process as the fundamental mathematical description of linear irreversible phenomena, with fluctuations, near an equilibrium. By identifying the underlying circulating dynamics in a stationary process as the natural generalization of classical conservative mechanics, a bridge between a family of OU processes with equilibrium fluctuations and thermodynamics is established through the celebrated Helmholtz theorem. The Helmholtz theorem provides an emergent macroscopic "equation of state" of the entire system, which exhibits a universal ideal thermodynamic behavior. Fluctuating macroscopic quantities are studied from the stochastic thermodynamic point of view and a non-equilibrium work relation is obtained in the macroscopic picture, which may facilitate experimental study and application of the equalities due to Jarzynski, Crooks, and Hatano and Sasa.

  1. Flow Decomposition Reveals Dynamical Structure of Markov Process

    E-Print Network [OSTI]

    Jianghong Shi; Tianqi Chen; Bo Yuan; Ping Ao

    2012-06-11T23:59:59.000Z

    Markov process is widely applied in almost all aspects of literature, especially important for understanding non-equilibrium processes. We introduce a decomposition to general Markov process in this paper. This decomposition decomposes the process into 3 independent parts: stationary distribution, symmetric detailed-balance part and anti-symmetric breaking detailed-balance part. This complete decomposition captures the steady state as well as the dynamics of the process, providing an elegant perspective for construction or analyzing problems. In light of the decomposition, a unique definition of relative entropy is found to formally separate the effect of detailed-balance part and breaking detailed-balance part. We find that the relative Gini entropy production introduced in the paper is not affected by the non-detailed balance part of the process. This property do not holds for other entropy definition in general discrete case.

  2. Ionization Equilibrium Timescales in Collisional Plasmas

    E-Print Network [OSTI]

    Smith, Randall K

    2010-01-01T23:59:59.000Z

    Astrophysical shocks or bursts from a photoionizing source can disturb the typical collisional plasma found in galactic interstellar media or the intergalactic medium. The spectrum emitted by this plasma contains diagnostics that have been used to determine the time since the disturbing event, although this determination becomes uncertain as the elements in the plasma return to ionization equilibrium. A general solution for the equilibrium timescale for each element arises from the elegant eigenvector method of solution to the problem of a non-equilibrium plasma described by Masai (1984) and Hughes & Helfand (1985). In general the ionization evolution of an element Z in a constant electron temperature plasma is given by a coupled set of Z+1 first order differential equations. However, they can be recast as Z uncoupled first order differential equations using an eigenvector basis for the system. The solution is then Z separate exponential functions, with the time constants given by the eigenvalues of the r...

  3. Soft matter in hard confinement: phase transition thermodynamics, structure, texture, diffusion and flow in nanoporous media - topical review

    E-Print Network [OSTI]

    Huber, Patrick

    2015-01-01T23:59:59.000Z

    Spatial confinement in nanoporous media affects the structure, thermodynamics and mobility of molecular soft matter often markedly. This article reviews thermodynamic equilibrium phenomena, such as physisorption, capillary condensation, crystallisation, self-diffusion, and structural phase transitions as well as selected aspects of the emerging field of spatially confined, non-equilibrium physics, i.e. the rheology of liquids, capillarity-driven flow phenomena, and imbibition front broadening in nanoporous materials. The observations in the nanoscale systems are related to the corresponding bulk phenomenologies. The complexity of the confined molecular species is varied from simple building blocks, like noble gas atoms, normal alkanes and alcohols to liquid crystals, polymers, ionic liquids, proteins and water. Mostly, experiments with mesoporous solids of alumina, carbon, gold, silica, and silicon having pore diameters ranging from a few up to 50 nanometers are presented. The observed peculiarities of nanopo...

  4. Modeling near-field radiative heat transfer from sharp objects using a general 3d numerical scattering technique

    E-Print Network [OSTI]

    McCauley, Alexander P; Krüger, Matthias; Johnson, Steven G

    2011-01-01T23:59:59.000Z

    We examine the non-equilibrium radiative heat transfer between a plate and finite cylinders and cones, making the first accurate theoretical predictions for the total heat transfer and the spatial heat flux profile for three-dimensional compact objects including corners or tips. We find qualitatively different scaling laws for conical shapes at small separations, and in contrast to a flat/slightly-curved object, a sharp cone exhibits a local \\emph{minimum} in the spatially resolved heat flux directly below the tip. The method we develop, in which a scattering-theory formulation of thermal transfer is combined with a boundary-element method for computing scattering matrices, can be applied to three-dimensional objects of arbitrary shape.

  5. Shear induced rigidity in athermal materials: a unified statistical framework

    E-Print Network [OSTI]

    Sumantra Sarkar; Bulbul Chakraborty

    2015-02-18T23:59:59.000Z

    Recent studies of athermal systems such as dry grains and dense, non-Brownian suspensions have shown that shear can lead to solidification through the process of shear jamming in grains and discontinuous shear thickening in suspensions. The similarities observed between these two distinct phenomena suggest that the physical processes leading to shear-induced rigidity in athermal materials are universal. We present a non-equilibrium statistical mechanics model, which exhibits the phenomenology of these shear-driven transitions: shear jamming and discontinuous shear thickening in different regions of the predicted phase diagram. Our analysis identifies the crucial physical processes underlying shear-driven rigidity transitions, and clarifies the distinct roles played by shearing forces and the density of grains.

  6. Prediction of Transport Properties by Molecular Simulation: Methanol and Ethanol and their mixture

    E-Print Network [OSTI]

    Guevara-Carrion, Gabriela; Vrabec, Jadran; Hasse, Hans

    2009-01-01T23:59:59.000Z

    Transport properties of liquid methanol and ethanol are predicted by molecular dynamics simulation. The molecular models for the alcohols are rigid, non-polarizable and of united-atom type. They were developed in preceding work using experimental vapor-liquid equilibrium data only. Self- and Maxwell-Stefan diffusion coefficients as well as the shear viscosity of methanol, ethanol and their binary mixture are determined using equilibrium molecular dynamics and the Green-Kubo formalism. Non-equilibrium molecular dynamics is used for predicting the thermal conductivity of the two pure substances. The transport properties of the fluids are calculated over a wide temperature range at ambient pressure and compared with experimental and simulation data from the literature. Overall, a very good agreement with the experiment is found. For instance, the self-diffusion coefficient and the shear viscosity are predicted with average deviations of less 8% for the pure alcohols and 12% for the mixture. The predicted thermal...

  7. Energy and entropy effects of counterions in salt-free colloidal solutions

    E-Print Network [OSTI]

    Chi-Lun Lee

    2012-02-08T23:59:59.000Z

    We use a shell model to study the counterion interactions in a colloidal solution. In this shell model, the counterions are restricted to move inside a spherical region about their host colloidal particle. In particular, we apply Monte Carlo simulations to derive the energy and entropy contributions of the effective colloidal interaction. Our result reveals an attractive electrostatic energy, which is overpowered by the osmotic repulsion among the counterions, as the latter can be well estimated by an ideal-gas approximation. We also provide an optional algorithm that enables counterion mixing between the two counterion clouds even when the clouds do not overlap. The residual mixing entropy of counterions gives a reduction in free energy that is comparable to the thermal fluctuation, suggesting a possible attractive mechanism between the colloidal particles under non-equilibrium condition.

  8. An Information-Theoretic Measure of Uncertainty due to Quantum and Thermal Fluctuations

    E-Print Network [OSTI]

    Arlen Anderson; Jonathan J. Halliwell

    1993-04-28T23:59:59.000Z

    We study an information-theoretic measure of uncertainty for quantum systems. It is the Shannon information $I$ of the phase space probability distribution $\\la z | \\rho | z \\ra $, where $|z \\ra $ are coherent states, and $\\rho$ is the density matrix. The uncertainty principle is expressed in this measure as $I \\ge 1$. For a harmonic oscillator in a thermal state, $I$ coincides with von Neumann entropy, $- \\Tr(\\rho \\ln \\rho)$, in the high-temperature regime, but unlike entropy, it is non-zero at zero temperature. It therefore supplies a non-trivial measure of uncertainty due to both quantum and thermal fluctuations. We study $I$ as a function of time for a class of non-equilibrium quantum systems consisting of a distinguished system coupled to a heat bath. We derive an evolution equation for $I$. For the harmonic oscillator, in the Fokker-Planck regime, we show that $I$ increases monotonically. For more general Hamiltonians, $I$ settles down to monotonic increase in the long run, but may suffer an initial decrease for certain initial states that undergo ``reassembly'' (the opposite of quantum spreading). Our main result is to prove, for linear systems, that $I$ at each moment of time has a lower bound $I_t^{min}$, over all possible initial states. This bound is a generalization of the uncertainty principle to include thermal fluctuations in non-equilibrium systems, and represents the least amount of uncertainty the system must suffer after evolution in the presence of an environment for time $t$.

  9. Defining work from operational principles

    E-Print Network [OSTI]

    R. Gallego; J. Eisert; H. Wilming

    2015-04-20T23:59:59.000Z

    In recent years we have witnessed a concentrated effort to make sense of thermodynamics for small-scale systems. One of the main difficulties is that, at the nano-scale, thermal fluctuations of energy in general render it conceptually difficult to distinguish work from heat. Despite of several attempts to resolve this issue, many of which inspired by quantum information theory, there is still remarkable little consensus on it. In this work, we attempt to define work in a strictly operational way. In our resource-theoretic approach, agents wish to agree upon how much work needs to be invested to effect a transition from one state of an arbitrary quantum work-storage device to another. We introduce basic operational principles, and deduce from them a strict set of mathematical properties that any reasonable function quantifying such work has to fulfil. One of those generalises strong sub-additivity, a key property in quantum information theory, to the domain of thermodynamics. We show that one work quantifier fulfilling all the required properties is the difference of the non-equilibrium free energy of the initial and final state of the work-storage system. More generally, for any work quantifier fulfilling the stated properties, we can derive a quantitative second law in the sense of bounding the work that can be performed using some non-equilibrium resource by the work that is needed to create it. We furthermore discuss the role of path dependence for work quantifiers and the connection to the concept of probability-distributions of work. Our mathematical results can be formulated abstractly and carry over to other resource theories than quantum thermodynamics.

  10. Large dynamic range diagnostics for high current electron LINACs

    SciTech Connect (OSTI)

    Evtushenko, P., E-mail: Pavel.Evtushenko@jlab.org [Thomas Jefferson National Accelerator Facility 12000 Jefferson Avenue, Newport News, VA 23606 (United States)

    2013-11-07T23:59:59.000Z

    The Jefferson Lab FEL driver accelerator - Energy Recovery Linac has provided a beam with average current of up to 9 mA and beam energy of 135 MeV. The high power beam operations have allowed developing and testing methods and approaches required to set up and tune such a facility simultaneously for the high beam power and high beam quality required for high performance FEL operations. In this contribution we briefly review this experience and outline problems that are specific to high current - high power non-equilibrium linac beams. While the original strategy for beam diagnostics and tuning have proven to be quite successful, some shortcomings and unresolved issues were also observed. The most important issues are the non-equilibrium (non-Gaussian) nature of the linac beam and the presence of small intensity - large amplitude fraction of the beam a.k.a. beam halo. Thus we also present a list of the possible beam halo sources and discuss possible mitigations means. We argue that for proper understanding and management of the beam halo large dynamic range (>10{sup 6}) transverse and longitudinal beam diagnostics can be used. We also present results of transverse beam profile measurements with the dynamic range approaching 10{sup 5} and demonstrate the effect the increased dynamic range has on the beam characterization, i.e., emittance and Twiss parameters measurements. We also discuss near future work planned in this field and where the JLab FEL facility will be used for beam tests of the developed of new diagnostics.

  11. Entropic fluctuations of XY quantum spin chains

    E-Print Network [OSTI]

    Benjamin Landon

    2015-03-08T23:59:59.000Z

    We consider an XY quantum spin chain that consists of a left, center and right part initially at thermal equilibrium at temperatures $T_l$, $T_c$, and $T_r$, respectively. The left and right systems are infinitely extended thermal reservoirs and the central system is a small quantum system linking these two reservoirs. If there is a temperature differential, then heat and entropy will flow from one part of the chain to the other. We consider the Evans-Searles and Gallavotti-Cohen functionals which describe the fluctuations of this flux with respect to the initial state of the system and the non-equilibrium steady state reached by the system in the large time limit. We also define the full counting statistics for the XY chain and consider the associated entropic functional, as well a natural class of functionals that interpolate between the full counting statistics functional and the direct quantization of the variational characterization of the Evans-Searles functional which appears in classical non-equilibrium statistical mechanics. The Jordan-Wigner transformation associates a free Fermi gas and Jacobi matrix to our XY chain. Using this representation we are able to compute the entropic functionals in the large time limit in terms of the scattering data of the underlying Jacobi matrix. We show that the Gallavotti-Cohen and Evans-Searles functionals are identical in this limit. Furthermore, we show that all of these entropic functionals are equal in the large time limit if and only if the underlying Jacobi matrix is reflectionless.

  12. Large-deviation principles, stochastic effective actions, path entropies, and the structure and meaning of thermodynamic descriptions

    E-Print Network [OSTI]

    Eric Smith

    2011-02-18T23:59:59.000Z

    The meaning of thermodynamic descriptions is found in large-deviations scaling of the fluctuations probabilities. The primary large-deviations rate function is the entropy, which is the basis for both fluctuation theorems and for characterizing the thermodynamic interactions of systems. Freidlin-Wentzell theory provides a general formulation of large-deviations scaling for non-equilibrium stochastic processes, through a representation in terms of a Hamiltonian dynamical system. A number of related methods now exist to construct the Freidlin-Wentzell Hamiltonian for many kinds of stochastic processes; one method due to Doi and Peliti, appropriate to integer counting statistics, is widely used in reaction-diffusion theory. Using these tools together with a path-entropy method due to Jaynes, we show how to construct entropy functions that both express large-deviations scaling of fluctuations, and describe system-environment interactions, for discrete stochastic processes either at or away from equilibrium. A collection of variational methods familiar within quantum field theory, but less commonly applied to the Doi-Peliti construction, is used to define a "stochastic effective action", which is the large-deviations rate function for arbitrary non-equilibrium paths. We show how common principles of entropy maximization, applied to different ensembles of states or of histories, lead to different entropy functions and different sets of thermodynamic state variables. Yet the relations of among all these levels of description may be constructed explicitly and understood in terms of information conditions. The example systems considered introduce methods that may be used to systematically construct descriptions with all the features familiar from equilibrium thermodynamics, for a much wider range of systems describable by stochastic processes.

  13. Size separation in vibrated granular matter

    E-Print Network [OSTI]

    A. Kudrolli

    2004-02-06T23:59:59.000Z

    We review recent developments in size separation in vibrated granular materials. Motivated by a need in industry to efficiently handle granular materials and a desire to make fundamental advances in non-equilibrium physics, experimental and theoretical investigations have shown size separation to be a complex phenomena. Large particles in a vibrated granular system invariably rise to the top. However, they may also sink to the bottom, or show other patterns depending on subtle variations in physical conditions. While size ratio is a dominant factor, particle specific properties such as density, inelasticity and friction can play an important role. The nature of the energy input, boundary conditions and interstitial air have been also shown to be significant factors in determining spatial distributions. The presence of convection can enhance mixing or lead to size separation. Experimental techniques including direct visualization and magnetic resonance imaging are being used to investigate these properties. Molecular dynamics and Monte Carlo simulation techniques have been developed to probe size separation. Analytical methods such as kinetic theory are being used to study the interplay between particle size and density in the vibro-fluidized regime, and geometric models have been proposed to describe size separation for deep beds. Besides discussing these studies, we will also review the impact of inelastic collision and friction on the density and velocity distributions to gain a deeper appreciation of the non-equilibrium nature of the system. While a substantial number of studies have been accomplished, considerable work is still required to achieve a firm description of the phenomena.

  14. Multiple-relaxation-time lattice Boltzmann kinetic model for combustion

    E-Print Network [OSTI]

    Aiguo Xu; Chuandong Lin; Guangcai Zhang; Yingjun Li

    2014-11-25T23:59:59.000Z

    To probe both the Mechanical Non-Equilibrium (MNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion procedure, a two-dimensional Multiple-Relaxation-Time (MRT) version of the Lattice Boltzmann Kinetic Model(LBKM) for combustion phenomena is presented. The chemical energy released in the progress of combustion is dynamically coupled into the system by adding a chemical term to the LB kinetic equation. The LB model is required to recover the Navier-Stokes equations with chemical reaction in the hydrodynamic limit. To that aim, we construct a discrete velocity model with $24$ velocities divided into $3$ groups. In each group a flexible parameter is used to control the size of discrete velocities and a second parameter is used to describe the contribution of the extra degrees of freedom. The current model works for both subsonic and supersonic flows with or without chemical reaction. In this model both the specific-heat ratio and the Prandtl number are flexible, the TNE effects are naturally presented in each simulation step. Via the MRT model, it is more convenient to track the effects of TNE and how the TNE influence the MNE behaviors. The model is verified and validated via well-known benchmark tests. It is found that around the detonation wave there are competition between the viscous effect, thermal diffusion effect and the gradient effects of physical quantities. Consequently, with decreasing the collision parameters, (i) the nonequilibrium region becomes wider and the gradients of physical quantities decrease; (ii) the position where the internal energy in the shocking degree of freedom equals the one averaged over all degrees of freedom moves away from the position for the von Neumann peak.

  15. UHM/HNEI EV test and evaluation program. Final report

    SciTech Connect (OSTI)

    Not Available

    1992-03-01T23:59:59.000Z

    The electric vehicle (EV) program of the Hawaii Natural Energy Institute (HNEI) focuses primarily on the field testing of promising EV/traction batteries. The intent is to utilize typical driving cycles to develop information that verifies or refutes what is obtained in the laboratory. Three different types of battery were assigned by the US DOE for testing in this program: Sonnenschein Dryfit 6V-160, Exide GC-5, Trojan T-145. We added the following battery to the test program: ALCO2200. HNEI`s existing EVs were utilized as test beds. The following EVs were chosen in our program: Converted Ford Escort station wagon, Converted Ford Escort two-door sedan, Converted Ford Escort two-door sedan, Converted Dodge van (typically daily driving distances, 10--30 miles). Capacity testing is a very effective way of monitoring the status of battery modules. Based on capacity tests, corrective action such as battery replacement, additional charging, adjusting terminal connections, etc., may be taken to maintain good performance. About 15,500 miles and 600 cycles have been accumulated on the Sonnenschein Dryfit 6V-160 battery pack. Five of its 18 modules have been changed. Based on DOE`s standard, the battery has reached the end of its useful life. Nevertheless, the battery pack is still operational and its operating range is still greater than 40 miles per charge. It is too early to evaluate the life expectancy of the other three batteries, the Trojan T-145, Exide GC-5, and Alco 2200. No module has been replaced in these three packs. The Trojan T-145 battery is a very promising EV traction battery in terms of quality and reliability versus price. HNEI will keep the Trojan and Exide battery packs in operation. The Alco 2200 batteries will be transferred to another vehicle. The Additional Charging Method seems to be an effective way of restoring weak modules. The ``Smart Voltmeter`` developed by HNEI is a promising way of monitoring the remaining range for an EV.

  16. Dissipation of Modified Entropic Gravitational Energy Through Gravitational Waves

    E-Print Network [OSTI]

    Clovis Jacinto de Matos

    2011-11-04T23:59:59.000Z

    The phenomenological nature of a new gravitational type interaction between two different bodies derived from Verlinde's entropic approach to gravitation in combination with Sorkin's definition of Universe's quantum information content, is investigated. Assuming that the energy stored in this entropic gravitational field is dissipated under the form of gravitational waves and that the Heisenberg principle holds for this system, one calculates a possible value for an absolute minimum time scale in nature $\\tau=15/16 \\frac{\\Lambda^{1/2}\\hbar G}{c^4}\\sim9.27\\times10^{-105}$ seconds, which is much smaller than the Planck time $t_{P}=(\\hbar G/c^5)^{1/2}\\sim 5.38\\times10^{-44}$ seconds. This appears together with an absolute possible maximum value for Newtonian gravitational forces generated by matter $F_g=32/30\\frac{c^7}{\\Lambda \\hbar G^2}\\sim 3.84\\times 10^{165}$ Newtons, which is much higher than the gravitational field between two Planck masses separated by the Planck length $F_{gP}=c^4/G\\sim1.21\\times10^{44}$ Newtons.

  17. Oxygen Transport Ceramic Membranes

    SciTech Connect (OSTI)

    S. Bandopadhyay; N. Nagabhushana; X.-D Zhou; Q. Cai; J. Yang; W.B. Yelon; W.J. James; H.U. Anderson; Alan Jacobson; C.A. Mims

    2004-05-01T23:59:59.000Z

    The present quarterly report describes some of the investigations on the structural properties of dense OTM bars provided by Praxair and studies on newer composition of Ti doped LSF. In this report, in situ neutron diffraction was used to characterize the chemical and structural properties of La{sub 0.2}Sr{sub 0.8}Fe{sub 0.55}Ti{sub 0.45}O{sub 3-{delta}} (here after as L2SF55T) specimen, which was subject to measurements of neutron diffraction from room temperature to 900 C. It was found that space group of R3c yielded a better refinement than a cubic structure of Pm3m. Oxygen occupancy was nearly 3 in the region from room temperature to 700 C, above which the occupancy decreased due to oxygen loss. Dense OTM bars provided by Praxair were loaded to fracture at varying stress rates. Studies were done at room temperature in air and at 1000 C in a specified environment to evaluate slow crack growth behavior. The X-Ray data and fracture mechanisms points to non-equilibrium decomposition of the LSFCO OTM membrane. The non-equilibrium conditions could probably be due to the nature of the applied stress field (stressing rates) and leads to transition in crystal structures and increased kinetics of decomposition. The formations of a Brownmillerite or Sr2Fe2O5 type structures, which are orthorhombic are attributed to the ordering of oxygen vacancies. The cubic to orthorhombic transitions leads to 2.6% increase in strains and thus residual stresses generated could influence the fracture behavior of the OTM membrane. Continued investigations on the thermodynamic properties (stability and phase-separation behavior) and total conductivity of prototype membrane materials were carried out. The data are needed together with the kinetic information to develop a complete model for the membrane transport. Previously characterization, stoichiometry and conductivity measurements for samples of La{sub 0.2}Sr{sub 0.8}Fe{sub 0.55}Ti{sub 0.45}O{sub 3-{delta}} were reported. In this report, measurements of the chemical and thermal expansion as a function of temperature and p{sub O2} are described.

  18. Collective flow in event-by-event transport plus hydrodynamics hybrid approach

    E-Print Network [OSTI]

    Rajeev S. Bhalerao; Amaresh Jaiswal; Subrata Pal

    2015-03-03T23:59:59.000Z

    Complete evolution of the strongly interacting matter formed in ultra-relativistic heavy-ion collisions is studied within a coupled Boltzmann and relativistic viscous hydrodynamics approach. For the initial non-equilibrium evolution phase, we employ the AMPT model that explicitly includes event-by-event fluctuations in the number and positions of the participating nucleons as well as of the produced partons with subsequent parton transport. The ensuing near-equilibrium evolution of quark-gluon and hadronic matter is modeled within the 2+1D relativistic viscous hydrodynamics. We probe the role of parton dynamics in generating and maintaining the spatial anisotropy in the pre-equilibrium phase. Substantial eccentricities epsilon_n are found to be generated in the event-by-event fluctuations in parton production from initial nucleon-nucleon collisions. For ultra-central heavy-ion collisions, the model is able to explain qualitatively the unexpected hierarchy of the harmonic flow coefficients v_n(pT) (n=2-6) observed at the LHC energy. We find that the results for v_n(pT) are rather insensitive to the variation (within a range) of the time of switchover from AMPT parton transport to hydrodynamic evolution. The usual Grad and the recently proposed Chapman-Enskog-like (non-equilibrium) single-particle distribution functions are found to give very similar results for v_n (n=2-4). The model describes well both the RHIC and LHC data for v_n(pT) at various centralities, with a constant shear viscosity to entropy density ratio 0.08 and 0.12, respectively. The event-by-event distributions of v_{2,3} are in good agreement with the LHC data for mid-central collisions. The linear response relation v_n = k_n*epsilon_n is found to be true for n=2,3, except at large values of epsilon_n, where a larger value of k_n is required, suggesting a small admixture of positive nonlinear response even for n=2,3.

  19. Control-volume representation of molecular dynamics

    E-Print Network [OSTI]

    E. R. Smith; D. M. Heyes; D. Dini; T. A. Zaki

    2012-05-24T23:59:59.000Z

    A Molecular Dynamics (MD) parallel to the Control Volume (CV) formulation of fluid mechanics is developed by integrating the formulas of Irving and Kirkwood, J. Chem. Phys. 18, 817 (1950) over a finite cubic volume of molecular dimensions. The Lagrangian molecular system is expressed in terms of an Eulerian CV, which yields an equivalent to Reynolds' Transport Theorem for the discrete system. This approach casts the dynamics of the molecular system into a form that can be readily compared to the continuum equations. The MD equations of motion are reinterpreted in terms of a Lagrangian-to-Control-Volume (\\CV) conversion function $\\vartheta_{i}$, for each molecule $i$. The \\CV function and its spatial derivatives are used to express fluxes and relevant forces across the control surfaces. The relationship between the local pressures computed using the Volume Average (VA, Lutsko, J. Appl. Phys 64, 1152 (1988)) techniques and the Method of Planes (MOP, Todd et al, Phys. Rev. E 52, 1627 (1995)) emerges naturally from the treatment. Numerical experiments using the MD CV method are reported for equilibrium and non-equilibrium (start-up Couette flow) model liquids, which demonstrate the advantages of the formulation. The CV formulation of the MD is shown to be exactly conservative, and is therefore ideally suited to obtain macroscopic properties from a discrete system.

  20. Heirarchical Self Assembly: Self Organized nano-structures in a nematically ordered matrix of self assembled polymeric chains

    E-Print Network [OSTI]

    Shaikh Mubeena; Apratim Chatterji

    2014-12-04T23:59:59.000Z

    We report many different nano-structures which are formed when model nano-particles of different sizes (diameter {\\sigma} n ) are allowed to aggregate in a background matrix of semi-flexible self assembled polymeric worm like micellar chains. The different nano-structures are formed by the dynamical arrest of phase-separating mixtures of micellar monomers and nano-particles. The different mor- phologies obtained are the result of an interplay of the available free volume, the elastic energy of deformation of polymers, the density (chemical potential) of the nano-particles in the polymer ma- trix and, of course, the ratio of the size of self assembling nano-particles and self avoidance diameter of polymeric chains. We have used a hybrid semi-grand canonical Monte Carlo simulation scheme to obtain the (non-equilibrium) phase diagram of the self-assembled nano-structures. We observe rod-like structures of nano-particles which get self assembled in the gaps between the nematically ordered chains as well as percolating gel-like network of conjoined nanotubes. We also find a totally unexpected interlocked crystalline phase of nano-particles and monomers, in which each crytal plane of nanoparticles is separated by planes of perfectly organized polymer chains. We identified the con- dition which leads to such interlocked crystal structure. We suggest experimental possibilities of how the results presented in this paper could be used to obtain different nano-structures in the lab.

  1. Coarsening in granular systems

    E-Print Network [OSTI]

    Andrea Baldassarri; Andrea Puglisi; Alessandro Sarracino

    2015-04-28T23:59:59.000Z

    We review a few representative examples of granular experiments or models where phase separation, accompanied by domain coarsening, is a relevant phenomenon. We first elucidate the intrinsic non-equilibrium, or athermal, nature of granular media. Thereafter, dilute systems, the so-called "granular gases" are discussed: idealized kinetic models, such as the gas of inelastic hard spheres in the cooling regime, are the optimal playground to study the slow growth of correlated structures, e.g. shear patterns, vortices and clusters. In fluidized experiments, liquid-gas or solid-gas separations have been observed. In the case of monolayers of particles, phase coexistence and coarsening appear in several different setups, with mechanical or electrostatic energy input. Phenomenological models describe, even quantitatively, several experimental measures, both for the coarsening dynamics and for the dynamic transition between different granular phases. The origin of the underlying bistability is in general related to negative compressibility from granular hydrodynamics computations, even if the understanding of the mechanism is far from complete. A relevant problem, with important industrial applications, is related to the demixing or segregation of mixtures, for instance in rotating tumblers or on horizontally vibrated plates. Finally, the problem of compaction of highly dense granular materials, which has many important applications, is usually described in terms of coarsening dynamics: there, bubbles of mis-aligned grains evaporate, allowing the coalescence of optimally arranged islands and a progressive reduction of total occupied volume.

  2. Lattice Boltzmann model for combustion and detonation

    E-Print Network [OSTI]

    Yan, Bo; Zhang, Guang-Cai; Ying, Yang-Jun; Li, Hua; 10.1007/s11467-013-0286-z

    2013-01-01T23:59:59.000Z

    In this paper we present a lattice Boltzmann model for combustion and detonation. In this model the fluid behavior is described by a finite-difference lattice Boltzmann model by Gan et al. [Physica A, 2008, 387: 1721]. The chemical reaction is described by the Lee-Tarver model [Phys. Fluids, 1980, 23: 2362]. The reaction heat is naturally coupled with the flow behavior. Due to the separation of time scales in the chemical and thermodynamic processes, a key technique for a successful simulation is to use the operator-splitting scheme. The new model is verified and validated by well-known benchmark tests. As a specific application of the new model, we studied the simple steady detonation phenomenon. To show the merit of LB model over the traditional ones, we focus on the reaction zone to study the non-equilibrium effects. It is interesting to find that, at the von Neumann peak, the system is nearly in its thermodynamic equilibrium. At the two sides of the von Neumann peak, the system deviates from its equilibri...

  3. Out-of-equilibrium evolution of kinetically constrained many-body quantum systems under purely dissipative dynamics

    E-Print Network [OSTI]

    Beatriz Olmos; Igor Lesanovsky; Juan P. Garrahan

    2014-10-14T23:59:59.000Z

    We explore the relaxation dynamics of quantum many-body systems that undergo purely dissipative dynamics through non-classical jump operators that can establish quantum coherence. Our goal is to shed light on the differences in the relaxation dynamics that arise in comparison to systems evolving via classical rate equations. In particular, we focus on a scenario where both quantum and classical dissipative evolution lead to a stationary state with the same values of diagonal or "classical" observables. As a basis for illustrating our ideas we use spin systems whose dynamics becomes correlated and complex due to dynamical constraints, inspired by kinetically constrained models (KCMs) of classical glasses. We show that in the quantum case the relaxation can be orders of magnitude slower than the classical one due to the presence of quantum coherences. Aspects of these idealized quantum KCMs become manifest in a strongly interacting Rydberg gas under electromagnetically induced transparency (EIT) conditions in an appropriate limit. Beyond revealing a link between this Rydberg gas and the rather abstract dissipative KCMs of quantum glassy systems, our study sheds light on the limitations of the use of classical rate equations for capturing the non-equilibrium behavior of this many-body system.

  4. Enhanced power factor of higher manganese silicide via melt spin synthesis method

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shi, Xiaoya [Brookhaven National Lab. (BNL), Upton, NY (United States); Shi, Xun [Chinese Academy of Sciences, Shanghai (China); Li, Yulong [Chinese Academy of Sciences, Shanghai (China); He, Ying [Chinese Academy of Sciences, Shanghai (China); Chen, Lidong [Chinese Academy of Sciences, Shanghai (China); Li, Qiang [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-12-28T23:59:59.000Z

    We report on the thermoelectric properties of the Higher Manganese Silicide MnSi?.?? (HMS) synthesized by means of a one-step non-equilibrium method. The ultrahigh cooling rate generated from the melt-spin technique is found to be effective in reducing second phases, which are inevitable during the traditional solid state diffusion processes. Aside from being detrimental to thermoelectric properties, second phases skew the revealing of the intrinsic properties of this class of materials, for example the optimal level of carrier concentration. With this melt-spin sample, we are able to formulate a simple model based on a single parabolic band that can well describe the carrier concentration dependence of the Seebeck coefficient and power factor of the data reported in the literature. An optimal carrier concentration around 5x10²? cm?³ at 300 K is predicted according to this model. The phase-pure melt-spin sample shows the largest power factor at high temperature, resulting in the highest zT value among the three samples in this paper. And the maximum value is superior to those reported in the literatures.

  5. Modeling ramp compression experiments using large-scale molecular dynamics simulation.

    SciTech Connect (OSTI)

    Mattsson, Thomas Kjell Rene; Desjarlais, Michael Paul; Grest, Gary Stephen; Templeton, Jeremy Alan; Thompson, Aidan Patrick; Jones, Reese E.; Zimmerman, Jonathan A.; Baskes, Michael I. (University of California, San Diego); Winey, J. Michael (Washington State University); Gupta, Yogendra Mohan (Washington State University); Lane, J. Matthew D.; Ditmire, Todd (University of Texas at Austin); Quevedo, Hernan J. (University of Texas at Austin)

    2011-10-01T23:59:59.000Z

    Molecular dynamics simulation (MD) is an invaluable tool for studying problems sensitive to atomscale physics such as structural transitions, discontinuous interfaces, non-equilibrium dynamics, and elastic-plastic deformation. In order to apply this method to modeling of ramp-compression experiments, several challenges must be overcome: accuracy of interatomic potentials, length- and time-scales, and extraction of continuum quantities. We have completed a 3 year LDRD project with the goal of developing molecular dynamics simulation capabilities for modeling the response of materials to ramp compression. The techniques we have developed fall in to three categories (i) molecular dynamics methods (ii) interatomic potentials (iii) calculation of continuum variables. Highlights include the development of an accurate interatomic potential describing shock-melting of Beryllium, a scaling technique for modeling slow ramp compression experiments using fast ramp MD simulations, and a technique for extracting plastic strain from MD simulations. All of these methods have been implemented in Sandia's LAMMPS MD code, ensuring their widespread availability to dynamic materials research at Sandia and elsewhere.

  6. Radiative feedback and cosmic molecular gas: numerical method

    E-Print Network [OSTI]

    Margarita Petkova; Umberto Maio

    2012-02-27T23:59:59.000Z

    We present results from self-consistent 3D numerical simulations of cosmic structure formation with a multi-frequency radiative transfer scheme and non-equilibrium molecular chemistry of 13 primordial species (e-, H, H+, H-, He, He+, He++, H2, H2+, D, D+, HD, HeH+), performed by using the simulation code GADGET. We describe our implementation and show tests for ionized sphere expansion in a static and dynamic density field around a central radiative source, and for cosmological abundance evolution coupled with the cosmic microwave background radiation. As a demonstrative application of radiative feedback on molecular gas, we run also cosmological simulations of early structure formation in a ~1Mpc size box. Our tests agree well with analytical and numerical expectations. Consistently with other works, we find that ionization fronts from central sources can boost H2 fractions in shock-compressed gas. The tight dependence on H2 lead to a corresponding boost of HD fractions, as well. We see a strong lowering of the the typical molecular abundances up to several orders of magnitudes which partially hinders further gas collapse of pristine neutral gas, and clearly suggests the need of re-ionized gas or metal cooling for the formation of the following generation of structures.

  7. Noise Properties of Rectifying Nanopores

    SciTech Connect (OSTI)

    Powell, M R; Sa, N; Davenport, M; Healy, K; Vlassiouk, I; Letant, S E; Baker, L A; Siwy, Z S

    2011-02-18T23:59:59.000Z

    Ion currents through three types of rectifying nanoporous structures are studied and compared for the first time: conically shaped polymer nanopores, glass nanopipettes, and silicon nitride nanopores. Time signals of ion currents are analyzed by power spectrum. We focus on the low-frequency range where the power spectrum magnitude scales with frequency, f, as 1/f. Glass nanopipettes and polymer nanopores exhibit non-equilibrium 1/f noise, thus the normalized power spectrum depends on the voltage polarity and magnitude. In contrast, 1/f noise in rectifying silicon nitride nanopores is of equilibrium character. Various mechanisms underlying the voltage-dependent 1/f noise are explored and discussed, including intrinsic pore wall dynamics, and formation of vortices and non-linear flow patterns in the pore. Experimental data are supported by modeling of ion currents based on the coupled Poisson-Nernst-Planck and Navier Stokes equations. We conclude that the voltage-dependent 1/f noise observed in polymer and glass asymmetric nanopores might result from high and asymmetric electric fields inducing secondary effects in the pore such as enhanced water dissociation.

  8. Extension of the quantum-kinetic model to lunar and Mars return physics

    SciTech Connect (OSTI)

    Liechty, D. S. [Aerothermodynamics Branch, NASA Langley Research Center, Hampton, Virginia 23681 (United States)] [Aerothermodynamics Branch, NASA Langley Research Center, Hampton, Virginia 23681 (United States); Lewis, M. J. [Department of Aerospace Engineering, University of Maryland, College Park, Maryland 20742 (United States)] [Department of Aerospace Engineering, University of Maryland, College Park, Maryland 20742 (United States)

    2014-02-15T23:59:59.000Z

    The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high-mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. A recently introduced molecular-level chemistry model, the quantum-kinetic, or Q-K, model that predicts reaction rates for gases in thermal equilibrium and non-equilibrium using only kinetic theory and fundamental molecular properties, is extended in the current work to include electronic energy level transitions and reactions involving charged particles. Like the Q-K procedures for neutral species chemical reactions, these new models are phenomenological procedures that aim to reproduce the reaction/transition rates but do not necessarily capture the exact physics. These engineering models are necessarily efficient due to the requirement to compute billions of simulated collisions in direct simulation Monte Carlo (DSMC) simulations. The new models are shown to generally agree within the spread of reported transition and reaction rates from the literature for near equilibrium conditions.

  9. Synchronization in Complex Oscillator Networks and Smart Grids

    E-Print Network [OSTI]

    Florian Dörfler; Michael Chertkov; Francesco Bullo

    2012-07-31T23:59:59.000Z

    The emergence of synchronization in a network of coupled oscillators is a fascinating topic in various scientific disciplines. A coupled oscillator network is characterized by a population of heterogeneous oscillators and a graph describing the interaction among them. It is known that a strongly coupled and sufficiently homogeneous network synchronizes, but the exact threshold from incoherence to synchrony is unknown. Here we present a novel, concise, and closed-form condition for synchronization of the fully nonlinear, non-equilibrium, and dynamic network. Our synchronization condition can be stated elegantly in terms of the network topology and parameters, or equivalently in terms of an intuitive, linear, and static auxiliary system. Our results significantly improve upon the existing conditions advocated thus far, they are provably exact for various interesting network topologies and parameters, they are statistically correct for almost all networks, and they can be applied equally to synchronization phenomena arising in physics and biology as well as in engineered oscillator networks such as electric power networks. We illustrate the validity, the accuracy, and the practical applicability of our results in complex networks scenarios and in smart grid applications.

  10. Shear viscosity of the quark-gluon plasma in a kinetic theory approach

    SciTech Connect (OSTI)

    Puglisi, A.; Plumari, S.; Scardina, F.; Greco, V. [Department of Physics and Astronomy, University of Catania, Via S. Sofia 64, I-95125 Catania, Italy and Laboratorio Nazionale del Sud, INFN-LNS, Via S. Sofia 63, I-95125 Catania (Italy)

    2014-05-09T23:59:59.000Z

    One of the main results of heavy ions collision (HIC) at relativistic energy experiments is the very small shear viscosity to entropy density ratio of the Quark-Gluon Plasma, close to the conjectured lower bound ?/s=1/4? for systems in the infinite coupling limit. Transport coefficients like shear viscosity are responsible of non-equilibrium properties of a system: Green-Kubo relations give us an exact expression to compute these coefficients. We compute shear viscosity numerically using Green-Kubo relation in the framework of Kinetic Theory solving the relativistic transport Boltzmann equation in a finite box with periodic boundary conditions. We investigate a system of particles interacting via anisotropic and energy dependent cross-section in the range of temperature of interest for HIC. Green-Kubo results are in agreement with Chapman-Enskog approximation while Relaxation Time approximation can underestimates the viscosity of a factor 2. The correct analytic formula for shear viscosity can be used to develop a transport theory with a fixed ?/s and have a comparison with physical observables like elliptic flow.

  11. Effect of phase transition on quantum transport in group-IV two-dimensional U-shape device

    SciTech Connect (OSTI)

    Sadi, Mohammad Abdullah; Gupta, Gaurav, E-mail: a0089293@nus.edu.sg; Liang, Gengchiau [Department of Electrical and Computer Engineering, National University of Singapore, Singapore 117576 (Singapore)

    2014-10-21T23:59:59.000Z

    The effect of phase-transition from the quantum-spin-hall to the band-insulator phase on the transport through a three-terminal U-shape spin-separator has been computationally investigated via non-equilibrium green function formalism. Two-dimensional group-IV elements have been comprehensively appraised as the device material. The device separates the unpolarized current injected at the source-terminal into nearly 100% spin-polarized currents of the opposite polarities at the two drain terminals. The phase-transition activated by the electric-field orthogonal to the device is shown to extensively influence the current magnitude and its spin-polarization, and the effect is stronger for materials with smaller intrinsic spin-orbit coupling. Moreover, the device length and the area under field are shown to critically affect the device characteristics on phase change. It is shown that the same device can be operated as a spin-filter by inducing phase-transition selectively in the channel. The results are important for designing spin-devices from Group-IV monolayers.

  12. The influences of various factors on the adsorption-desorption behaviors of hydrophobic organic compounds in sediments of Lake Charles, LA

    SciTech Connect (OSTI)

    Wei Chen; Kan, A.T.; Tomson, M.B. [Rice Univ., Houston, TX (United States)

    1996-10-01T23:59:59.000Z

    Both the adsorption and the desorption processes play important roles in the transport and fate of organic contaminants in water-sediments and groundwater systems. The adsorption-desorption processes are shown to be influenced by a number of factors, including sediments organic carbon content, contaminant aqueous solubility, aqueous-phase concentration as well as some natural environmental factors such as pH, pE, ionic strength and temperature. External mechanical forces, such as sediment perturbation, and repeated dredging will also have finite effect on the microscopic interparticle forces that control bonds between large and small grain particles. The objective of this research is to study the influences of various environmental effects on the equilibrium or non-equilibrium desorption behavior of nonpolar organic pollutants in historically contaminated natural sediments of Lake Charles, LA. Differences of desorption behavior between freshly and historically contaminated sediments will be compared in order to evaluated the desorption mechanism. The influences of particle size, mineral composition, organic matter concentration, and aqueous phase matrix composition on desorption behaviour will also be evaluated.

  13. Environmental Impact on the Southeast Limb of the Cygnus Loop

    E-Print Network [OSTI]

    N. A. Levenson; James R. Graham

    2004-12-17T23:59:59.000Z

    We analyze observations from the Chandra X-ray Observatory of the southeast knot of the Cygnus Loop supernova remnant. In this region, the blast wave propagates through an inhomogeneous environment. Extrinsic differences and subsequent multiple projections along the line of sight rather than intrinsic shock variations, such as fluid instabilities, account for the apparent complexity of the images. Interactions between the supernova blast wave and density enhancements of a large interstellar cloud can produce the morphological and spectral characteristics. Most of the X-ray flux arises in such interactions, not in the diffuse interior of the supernova remnant. Additional observations at optical and radio wavelengths support this account of the existing interstellar medium and its role in shaping the Cygnus Loop, and they demonstrate that the southeast knot is not a small cloud that the blast wave has engulfed. These data are consistent with rapid equilibration of electron and ion temperatures behind the shock front, and the current blast wave velocity v_{bw} approx 330 km/s. Most of this area does not show strong evidence for non-equilibrium ionization conditions, which may be a consequence of the high densities of the bright emission regions.

  14. Dynamics of femtosecond laser absorption of fused silica in the ablation regime

    SciTech Connect (OSTI)

    Lebugle, M., E-mail: lebugle@lp3.univ-mrs.fr; Sanner, N.; Varkentina, N.; Sentis, M.; Utéza, O. [Aix Marseille Université, CNRS, LP3 UMR 7341, 13288 Marseille (France)

    2014-08-14T23:59:59.000Z

    We investigate the ultrafast absorption dynamics of fused silica irradiated by a single 500?fs laser pulse in the context of micromachining applications. A 60-fs-resolution pump-probe experiment that measures the reflectivity and transmissivity of the target under excitation is developed to reveal the evolution of plasma absorption. Above the ablation threshold, an overcritical plasma with highly non-equilibrium conditions is evidenced in a thin layer at the surface. The maximum electron density is reached at a delay of 0.5?ps after the peak of the pump pulse, which is a strong indication of the occurrence of electronic avalanche. The results are further analyzed to determine the actual feedback of the evolution of the optical properties of the material on the pump pulse. We introduce an important new quantity, namely, the duration of absorption of the laser by the created plasma, corresponding to the actual timespan of laser absorption by inverse Bremsstrahlung. Our results indicate an increasing contribution of plasma absorption to the total material absorption upon raising the excitation fluence above the ablation threshold. The role of transient optical properties during the energy deposition stage is characterized and our results emphasize the necessity to take it into account for better understanding and control of femtosecond laser-dielectrics interaction.

  15. Transition from ultrafast laser photo-electron emission to space charge limited current in a 1D gap

    E-Print Network [OSTI]

    Yangjie Liu; L. K. Ang

    2014-08-21T23:59:59.000Z

    A one-dimensional (1D) model has been constructed to study the transition of the time-dependent ultrafast laser photo-electron emission from a flat metallic surface to the space charge limited (SCL) current, including the effect of non-equilibrium laser heating on metals at the ultrafast time scale. At a high laser field, it is found that the space charge effect cannot be ignored and the SCL current emission is reached at a lower value predicted by a short pulse SCL current model that assumed a time-independent emission process. The threshold of the laser field to reach the SCL regime is determined over a wide range of operating parameters. The calculated results agree well with particle-in-cell (PIC) simulation. It is found that the space charge effect is more important for materials with lower work function like tungsten (4.4 eV) as compared to gold (5.4 eV). However for a flat surface, both materials will reach the space charge limited regime at the sufficiently high laser field such as $>$ 5 GV/m with a laser pulse length of tens to one hundred femtoseconds.

  16. Friction between Ring Polymer Brushes

    E-Print Network [OSTI]

    A. Erbas; J. Paturej

    2015-01-07T23:59:59.000Z

    Friction between ring-polymer brushes at melt densities sliding past each other are studied using extensive course-grained molecular dynamics simulations and scaling arguments, and the results are compared to the friction between linear-polymer brushes. We show that for a velocity range spanning over three decades, the frictional forces measured for ring-polymer brushes are half the corresponding friction in case of linear brushes. In the linear-force regime, the weak inter-digitation of two ring brushes compared to linear brushes also leads to a lower number of binary collisions between the monomers of opposing brushes. At high velocities, where the thickness of the inter-digitation layer between two opposing brushes is on the order monomer size regardless of brush topology, stretched segments of ring polymers take a double-stranded conformation. As a result, monomers of the double-stranded segments collide less with the monomers of the opposing ring brush even though a similar number of monomers occupies the inter-digitation layer for ring and linear-brush bilayers. The numerical data obtained from our simulations is consistent with the proposed scaling analysis. Conformation-dependent frictional reduction observed in ring brushes can have important consequences in non-equilibrium bulk systems.

  17. Collective transport of weakly interacting molecular motors with Langmuir kinetics

    E-Print Network [OSTI]

    Sameep Chandel; Abhishek Chaudhuri; Sudipto Muhuri

    2015-01-09T23:59:59.000Z

    Filament based intracellular transport involves the collective action of molecular motor proteins. Experimental evidences suggest that microtubule (MT) filament bound motor proteins such as {\\it kinesins} weakly interact among themselves during transport and with the surrounding cellular environment. Motivated by these observations we study a driven lattice gas model for collective unidirectional transport of molecular motors on open filament, which incorporates the short-range interactions between the motors on filaments and couples the transport process on filament with surrounding cellular environment through adsorption-desorption Langmuir (LK) kinetics of the motors. We analyse this model within the framework of a Mean Field (MF) theory in the limit of {\\it weak} interactions between the motors. We point to the mapping of this model with the non-conserved version of Katz-Lebowitz-Spohn (KLS) model. The system exhibits rich phase behavior with variety of inhomogeneous phases including localized shocks in the bulk of the filament. We obtain the steady state density and current profiles and analyse their variation as function of the strength of interaction. We compare these MF results with Monte Carlo simulations and find that the MF analysis shows reasonably good agreement as long as the motors are weakly interacting. We also construct the non-equilibrium MF phase diagram.

  18. Markov models and the ensemble Kalman filter for estimation of sorption rates.

    SciTech Connect (OSTI)

    Vugrin, Eric D.; McKenna, Sean Andrew (Sandia National Laboratories, Albuquerque, NM); Vugrin, Kay White

    2007-09-01T23:59:59.000Z

    Non-equilibrium sorption of contaminants in ground water systems is examined from the perspective of sorption rate estimation. A previously developed Markov transition probability model for solute transport is used in conjunction with a new conditional probability-based model of the sorption and desorption rates based on breakthrough curve data. Two models for prediction of spatially varying sorption and desorption rates along a one-dimensional streamline are developed. These models are a Markov model that utilizes conditional probabilities to determine the rates and an ensemble Kalman filter (EnKF) applied to the conditional probability method. Both approaches rely on a previously developed Markov-model of mass transfer, and both models assimilate the observed concentration data into the rate estimation at each observation time. Initial values of the rates are perturbed from the true values to form ensembles of rates and the ability of both estimation approaches to recover the true rates is examined over three different sets of perturbations. The models accurately estimate the rates when the mean of the perturbations are zero, the unbiased case. For the cases containing some bias, addition of the ensemble Kalman filter is shown to improve accuracy of the rate estimation by as much as an order of magnitude.

  19. Coronal Holes

    E-Print Network [OSTI]

    Cranmer, Steven R

    2009-01-01T23:59:59.000Z

    Coronal holes are the darkest and least active regions of the Sun, as observed both on the solar disk and above the solar limb. Coronal holes are associated with rapidly expanding open magnetic fields and the acceleration of the high-speed solar wind. This paper reviews measurements of the plasma properties in coronal holes and how these measurements are used to reveal details about the physical processes that heat the solar corona and accelerate the solar wind. It is still unknown to what extent the solar wind is fed by flux tubes that remain open (and are energized by footpoint-driven wave-like fluctuations), and to what extent much of the mass and energy is input intermittently from closed loops into the open-field regions. Evidence for both paradigms is summarized in this paper. Special emphasis is also given to spectroscopic and coronagraphic measurements that allow the highly dynamic non-equilibrium evolution of the plasma to be followed as the asymptotic conditions in interplanetary space are establish...

  20. Direct Observations of Plasma Upflows and Condensation in a Catastrophically Cooling Solar Transition Region Looop

    E-Print Network [OSTI]

    Orange, N B; Oluseyi, H M; Hesterly, K; Patel, M; Champey, P R

    2015-01-01T23:59:59.000Z

    Minimal observational evidence exists for fast transition region (TR) upflows in the presence of cool loops. Observations of such occurrences challenge notions of standard solar atmospheric heating models, as well as their description of bright TR emission. Using the {\\it EUV Imaging Spectrometer} (EIS) onboard {\\it Hinode}, we observe fast upflows ($v_\\lambda$\\,$\\le$\\,$-$10 km s$^{-1}$) over multiple TR temperatures (5.8\\,$\\le$\\,$\\log T$\\,$\\le$ 6.0) at the footpoint sites of a cool loop ($\\log T$\\,$\\le$\\,6.0). Prior to cool loop energizing, asymmetric flows of $+$\\,5 km s$^{-1}$ and $-$\\,60 km s$^{-1}$ are observed at footpoint sites. These flows speeds and patterns occur simultaneously with both magnetic flux cancellation (at site of upflows only) derived from the {\\it Solar Dynamics Observatory}'s (SDOs) { \\it Helioseismic Magnetic Imager}'s (HMI) line-of-sight magnetogram images, and a 30\\% mass in-flux at coronal heights. The incurred non-equilibrium structure of the cool loop leads to a catastrophic coo...

  1. A Suzaku Observation of the Low-Ionization Fe-Line Emission from RCW 86

    E-Print Network [OSTI]

    Masaru Ueno; Rie Sato; Jun Kataoka; Aya Bamba; Ilana Harrus; Junko Hiraga; John P. Hughes; Caroline A. Kilbourne; Katsuji Koyama; Motohide Kokubun; Hiroshi Nakajima; Masanobu Ozaki; Robert Petre; Tadayuki Takahashi; Takaaki Tanaka; Hiroshi Tomida; Hiroya Yamaguchi

    2006-10-13T23:59:59.000Z

    The newly operational X-ray satellite Suzaku observed the southwestern quadrant of the supernova remnant (SNR) RCW 86 in February 2006 to study the nature of the 6.4 keV emission line first detected with the Advanced Satellite for Cosmology and Astronomy (ASCA). The new data confirm the existence of the line, localizing it for the first time; most of the line emission is adjacent and interior to the forward shock and not at the locus of the continuum hard emission. We also report the first detection of a 7.1 keV line that we interpret as the K-beta emission from low-ionization iron. The Fe-K line features are consistent with a non-equilibrium plasma of Fe-rich ejecta with n_{e}t <~ 10^9 cm^-3 s and kT_{e} ~ 5 keV. This combination of low n_{e}t and high kT_{e} suggests collisionless electron heating in an SNR shock. The Fe K-alpha line shows evidence for intrinsic broadening, with a width of 47 (34--59) eV (99% error region). The difference of the spatial distributions of the hard continuum above 3 keV and the Fe-K line emission support a synchrotron origin for the hard continuum.

  2. Thermodynamic and quantum bounds on nonlinear DC thermoelectric transport

    E-Print Network [OSTI]

    Robert S. Whitney

    2013-03-05T23:59:59.000Z

    I consider the non-equilibrium DC transport of electrons through a quantum system with a thermoelectric response. This system may be any nanostructure or molecule modeled by the nonlinear scattering theory which includes Hartree-like electrostatic interactions exactly, and certain dynamic interaction effects (decoherence and relaxation) phenomenologically. This theory is believed to be a reasonable model when single-electron charging effects are negligible. I derive three fundamental bounds for such quantum systems coupled to multiple macroscopic reservoirs, one of which may be superconducting. These bounds affect nonlinear heating (such as Joule heating), work and entropy production. Two bounds correspond to the first law and second law of thermodynamics in classical physics. The third bound is quantum (wavelength dependent), and is as important as the thermodynamic ones in limiting the capabilities of mesoscopic heat-engines and refrigerators. The quantum bound also leads to Nernst's unattainability principle that the quantum system cannot cool a reservoir to absolute zero in a finite time, although it can get exponentially close.

  3. Gauge field, strings, solitons, anomalies and the speed of life

    E-Print Network [OSTI]

    Antti J. Niemi

    2014-07-05T23:59:59.000Z

    It's been said that "mathematics is biology's next microscope, only better; biology is mathematics' next physics, only better". Here we aim for something even better. We try to combine mathematical physics and biology into a picoscope of life. For this we merge techniques which have been introduced and developed in modern mathematical physics, largely by Ludvig Faddeev to describe objects such as solitons and Higgs and to explain phenomena such as anomalies in gauge fields. We propose a synthesis that can help to resolve the protein folding problem, one of the most important conundrums in all of science. We apply the concept of gauge invariance to scrutinize the extrinsic geometry of strings in three dimensional space. We evoke general principles of symmetry in combination with Wilsonian universality and derive an essentially unique Landau-Ginzburg energy that describes the dynamics of a generic string-like configuration in the far infrared. We observe that the energy supports topological solitons, that pertain to an anomaly in the manner how a string is framed around its inflection points. We explain how the solitons operate as modular building blocks from which folded proteins are composed. We describe crystallographic protein structures by multi-solitons with experimental precision, and investigate the non-equilibrium dynamics of proteins under varying temperature. We simulate the folding process of a protein at in vivo speed and with close to pico-scale accuracy using a standard laptop computer: With pico-biology as mathematical physics' next pursuit, things can only get better.

  4. Light Activated Self-Propelled Colloids

    E-Print Network [OSTI]

    J. Palacci; S. Sacanna; S. -H. Kim; G. -R. Yi; D. J. Pine; P. M. Chaikin

    2014-10-27T23:59:59.000Z

    Light-activated self-propelled colloids are synthesized and their active motion is studied using optical microscopy. We propose a versatile route using different photoactive materials, and demonstrate a multiwavelength activation and propulsion. Thanks to the photoelectrochemical properties of two semiconductor materials (\\alpha Fe2 O3 and TiO2 ), a light with an energy higher than the bandgap triggers the reaction of decomposition of hydrogen peroxide and produces a chemical cloud around the particle. It induces a phoretic attraction with neighbouring colloids as well as an osmotic self- propulsion of the particle on the substrate. We use these mechanisms to form colloidal cargos as well as self-propelled particles where the light-activated component is embedded into a dielectric sphere. The particles are self-propelled along a direction otherwise randomized by thermal fluctuations, and exhibit a persistent random walk. For sufficient surface density, the particles spontaneously form "living crystals" which are mobile, break apart and reform. Steering the particle with an external magnetic field, we show that the formation of the dense phase results from the collisions heads-on of the particles. This effect is intrinsically non-equilibrium and a novel principle of organization for systems without detailed balance. Engineering families of particles self-propelled by different wavelength demonstrate a good understanding of both the physics and the chemistry behind the system and points to a general route for designing new families of self-propelled particles.

  5. Radiation in molecular dynamic simulations

    SciTech Connect (OSTI)

    Glosli, J; Graziani, F; More, R; Murillo, M; Streitz, F; Surh, M

    2008-10-13T23:59:59.000Z

    Hot dense radiative (HDR) plasmas common to Inertial Confinement Fusion (ICF) and stellar interiors have high temperature (a few hundred eV to tens of keV), high density (tens to hundreds of g/cc) and high pressure (hundreds of Megabars to thousands of Gigabars). Typically, such plasmas undergo collisional, radiative, atomic and possibly thermonuclear processes. In order to describe HDR plasmas, computational physicists in ICF and astrophysics use atomic-scale microphysical models implemented in various simulation codes. Experimental validation of the models used to describe HDR plasmas are difficult to perform. Direct Numerical Simulation (DNS) of the many-body interactions of plasmas is a promising approach to model validation but, previous work either relies on the collisionless approximation or ignores radiation. We present a new numerical simulation technique to address a currently unsolved problem: the extension of molecular dynamics to collisional plasmas including emission and absorption of radiation. The new technique passes a key test: it relaxes to a blackbody spectrum for a plasma in local thermodynamic equilibrium. This new tool also provides a method for assessing the accuracy of energy and momentum exchange models in hot dense plasmas. As an example, we simulate the evolution of non-equilibrium electron, ion, and radiation temperatures for a hydrogen plasma using the new molecular dynamics simulation capability.

  6. High-temperature phase transformation in Cr added TiAl base alloy

    SciTech Connect (OSTI)

    Abe, E.; Niinobe, K.; Nobuki, M.; Nakamura, M.; Tsujimoto, T.

    1999-07-01T23:59:59.000Z

    The authors have investigated a microstructure evolution of a Ti-48Al-3.5Cr (in at.%) alloy at high-temperatures ({gt} 1,473K). In the alloy annealed at 1673K for 1.8ks, followed by air-cooling, a characteristic microstructure with a feathery fashion was uniformly formed. From a cooling-rate-controlling study, it was found that formation of the feathery structure is accomplished during continuous cooling from 1673K to 1573K, within the {alpha} + {gamma} two-phase region. Transmission electron microscopy revealed that the feathery structure is composed of lamellar colonies (5--10{micro}m) which are crystallographically tilted slightly (a few degree) with their neighbors. A surprising fact is that lamellae in each colony are mostly the {gamma} phase with few {alpha}{sub 2} phase less than 5% in volume. This suggests that the feathery structure is a metastable product and has not resulted from the {alpha} {r{underscore}arrow} {alpha} + {gamma} transformation above 1,573 K. Instead, the feathery structure formation should be attributed to the non-equilibrium {alpha} {r{underscore}arrow} {gamma} transformation which occurs at high-temperatures with a small degree of supercooling. The authors discuss this interesting phase transformation in terms of the {alpha} {r{underscore}arrow} {gamma} massive transformation, based on the continuous-cooling-transformation (CCT) diagram constructed for the present alloy.

  7. Gamma-ray burst spectra and spectral correlations from sub-photospheric Comptonization

    E-Print Network [OSTI]

    Chhotray, Atul

    2015-01-01T23:59:59.000Z

    One of the most important unresolved issues in gamma-ray burst physics is the origin of the prompt gamma-ray spectrum. Its general non-thermal character and the softness in the X-ray band remain unexplained. We tackle these issues by performing Monte Carlo simulations of radiation-matter interactions in a scattering dominated photon-lepton plasma. The plasma -- initially in equilibrium -- is driven to non-equilibrium conditions by a sudden energy injection in the lepton population, mimicking the effect of a shock wave or the dissipation of magnetic energy. Equilibrium restoration occurs due to energy exchange between the photons and leptons. While the initial and final equilibrium spectra are thermal, the transitional photon spectra are characterized by non-thermal features such as power-law tails, high energy bumps, and multiple components. Such non-thermal features are observed at infinity if the dissipation occurs at small to moderate optical depths, and the spectrum is released before thermalization is co...

  8. Phonons in a one-dimensional microfluidic crystal

    E-Print Network [OSTI]

    Tsevi Beatus; Tsvi Tlusty; Roy Bar-Ziv

    2010-08-06T23:59:59.000Z

    The development of a general theoretical framework for describing the behaviour of a crystal driven far from equilibrium has proved difficult1. Microfluidic crystals, formed by the introduction of droplets of immiscible fluid into a liquid-filled channel, provide a convenient means to explore and develop models to describe non-equilibrium dynamics2, 3, 4, 5, 6, 7, 8, 9, 10, 11. Owing to the fact that these systems operate at low Reynolds number (Re), in which viscous dissipation of energy dominates inertial effects, vibrations are expected to be over-damped and contribute little to their dynamics12, 13, 14. Against such expectations, we report the emergence of collective normal vibrational modes (equivalent to acoustic 'phonons') in a one-dimensional microfluidic crystal of water-in-oil droplets at Reapprox10-4. These phonons propagate at an ultra-low sound velocity of approx100 mum s-1 and frequencies of a few hertz, exhibit unusual dispersion relations markedly different to those of harmonic crystals, and give rise to a variety of crystal instabilities that could have implications for the design of commercial microfluidic systems. First-principles theory shows that these phonons are an outcome of the symmetry-breaking flow field that induces long-range inter-droplet interactions, similar in nature to those observed in many other systems including dusty plasma crystals15, 16, vortices in superconductors17, 18, active membranes19 and nucleoprotein filaments20.

  9. Magnetic Field Confinement in the Corona: The Role of Magnetic Helicity Accumulation

    E-Print Network [OSTI]

    Mei Zhang; Natasha Flyer; Boon Chye Low

    2006-03-01T23:59:59.000Z

    A loss of magnetic field confinement is believed to be the cause of coronal mass ejections (CMEs), a major form of solar activity in the corona. The mechanisms for magnetic energy storage are crucial in understanding how a field may possess enough free energy to overcome the Aly limit and open up. Previously, we have pointed out that the accumulation of magnetic helicity in the corona plays a significant role in storing magnetic energy. In this paper, we investigate another hydromagnetic consequence of magnetic-helicity accumulation. We propose a conjecture that there is an upper bound on the total magnetic helicity that a force-free field can contain. This is directly related to the hydromagnetic property that force-free fields in unbounded space have to be self-confining. Although a mathematical proof of this conjecture for any field configuration is formidable, its plausibility can be demonstrated with the properties of several families of power-law, axisymmetric force-free fields. We put forth mathematical evidence, as well as numerical, indicating that an upper bound on the magnetic helicity may exist for such fields. Thus, the accumulation of magnetic helicity in excess of this upper bound would initiate a non-equilibrium situation, resulting in a CME expulsion as a natural product of coronal evolution.

  10. Nematic ordering of topological defects in active liquid crystals

    E-Print Network [OSTI]

    Anand U. Oza; Jörn Dunkel

    2015-07-15T23:59:59.000Z

    Identifying the ordering principles of intracellular matter is key to understanding the physics of microbiological systems. Recent experiments show that ATP-driven microtubule-kinesin bundles can form non-equilibrium networks of liquid-crystalline order when trapped in an oil-water interface near a solid boundary. At high densities, the bundles realize a 2D active nematic phase characterized by spontaneous creation and annihilation of topological defects, reminiscent of particle-pair production processes in quantum systems. This remarkable discovery sparked considerable theoretical interest, yet a satisfactory mathematical description has remained elusive, primarily for the following two reasons. First, prevailing multi-component theories feature a large number of unknown parameters that make quantitative comparison with experiment infeasible. Second, the currently favored hydrodynamic models assume divergence-free 2D interfacial flow, thereby promoting turbulent pattern formation through upward cascades. Such cascades are unlikely to occur in experiments, where interface and bulk fluid can continuously exchange matter. Here, we propose a compact alternative continuum theory for dense active liquid crystals by merging ideas from the Landau-de Gennes and Swift-Hohenberg theories. The resulting fourth-order model agrees quantitatively with experimental data, correctly predicts a regime of long-range nematic alignment of defects, and manifests an analogy with a generalized Gross-Pitaevskii quantum theory. Generally, our results suggest that universal ordering principles may govern a wide range of active materials.

  11. Is electrospray emission really due to columbic forces?

    SciTech Connect (OSTI)

    Aliotta, Francesco, E-mail: aliotta@ipcf.cnr.it; Ponterio, Rosina C.; Salvato, Gabriele; Vasi, Cirino [CNR-Istituto per i Processi Chimico-Fisici, Viale F. Stagno d’Alcontres 37, I-98158 Messina (Italy); Calandra, Pietro [CNR-Istituto per lo Studio dei Materiali Nanostrutturati, via dei Taurini 19, I-00185 Roma (Italy); Pochylski, Mikolaj [Adam Mickiewicz University, Faculty of Physics, Umultowska 85, PL-62614 Poznan (Poland)

    2014-09-15T23:59:59.000Z

    Electrospray ionization (ESI) is a widely adopted soft ionization method for mass spectroscopy (MS). In spite of the undeniable success of the technique, its mechanisms are difficult to be analytically modelled because the process is characterized by non-equilibrium conditions. The common belief is that the formation of gas-phase ions takes place at the apex of the Taylor cone via electrophoretic charging. The charge balance implies that a conversion of electrons to ions should occur at the metal-liquid interface of the injector needle. We have detected that the above description is based on unproved assumptions which are not consistent with the correct evaluation of the problem. The comparison between experiments performed under the usual geometry and observations obtained under symmetric field configurations suggests that the emitted droplets cannot be significantly charged or, at least, that any possible ionization mechanism is so poorly efficient to ensure that columbic forces cannot play a major role in jet formation, even in cases where the liquid consists of a solution of ionic species. Further work is required to clearly understand how ionization occurs in ESI-MS.

  12. Absorption of a single 500 fs laser pulse at the surface of fused silica: Energy balance and ablation efficiency

    SciTech Connect (OSTI)

    Varkentina, N.; Sanner, N.; Lebugle, M.; Sentis, M.; Utéza, O. [Aix-Marseille Université, CNRS, LP3 UMR 7341, 13288 Marseille (France)] [Aix-Marseille Université, CNRS, LP3 UMR 7341, 13288 Marseille (France)

    2013-11-07T23:59:59.000Z

    Ablation of fused silica by a single femtosecond laser pulse of 500 fs pulse duration is investigated from the perspective of efficiency of incident photons to remove matter. We measure the reflected and transmitted fractions of the incident pulse energy as a function of fluence, allowing us to recover the evolution of absorption at the material surface. At the ablation threshold fluence, 25% of incident energy is absorbed. At high fluences, this ratio saturates around 70% due to the appearance of a self-triggered plasma mirror (or shielding) effect. By using the energy balance retrieved experimentally and measurements of the ablated volume, we show that the amount of absorbed energy is far above the bonding energy of fused silica at rest and also above the energy barrier to ablate the material under non-equilibrium thermodynamic conditions. Our results emphasize the crucial role of transient plasma properties during the laser pulse and suggest that the major part of the absorbed energy has been used to heat the plasma formed at the surface of the material. A fluence range yielding an efficient and high quality ablation is also defined, which makes the results relevant for femtosecond micromachining processes.

  13. CAirTOX: A compartment model for assessing the fate of and human exposure to toxic-chemical emissions to air

    SciTech Connect (OSTI)

    McKone, T.E.

    1993-10-01T23:59:59.000Z

    CAirTOX has been developed as a spreadsheet model to assist in making a risk assessment of toxic air emissions. With CAirTOX, one can address how contaminants released to an air basin can lead to contamination of soil, food, surface water, and sediments. The modeling effort includes a multimedia transport and transformation model, exposure scenario models, and efforts to quantify uncertainty in multimedia, multiple-pathway exposure assessments. The multimedia transport and transformation model is a steady-state, but non-equilibrium model that can be used to assess concentrations of contaminants released continuously to air. In Part 1, the authors describe the multimedia transport and transformation model used to determine the fate of air emissions. In Part 2, they describe inputs and data needs for CAirTOX and the development of a set of landscape factors, which can be used to represent regional air basin/water-shed systems in California. In Part 3, they describe the multiple-pathway exposure scenarios and exposure algorithms. In Part 4, they compare the HRA approach and results and the CAirTOX exposure equations. In Part 5, they consider model sensitivity and uncertainty to determine how variability and uncertainty in model inputs affects the precision, accuracy, and credibility of the model output.

  14. A Chandra X-ray study of the mixed-morphology supernova remnant 3C400.2

    E-Print Network [OSTI]

    Broersen, Sjors

    2015-01-01T23:59:59.000Z

    We present an analysis of archival Chandra observations of the mixed-morphology remnant 3C400.2. We analysed spectra of different parts of the remnant to observe if the plasma properties provide hints on the origin of the mixed-morphology class. These remnants often show overionization, which is a sign of rapid cooling of the thermal plasma, and super-solar abundances of elements which is a sign of ejecta emission. Our analysis shows that the thermal emission of 3C400.2 can be well explained by a two component non-equilibrium ionization model, of which one component is underionized, has a high temperature ($kT \\approx 3.9$ keV) and super-solar abundances, while the other component has a much lower temperature ($kT \\approx 0.14$ keV), solar abundances and shows signs of overionization. The temperature structure, abundance values and density contrast between the different model components suggest that the hot component comes from ejecta plasma, while the cooler component has an interstellar matter origin. This ...

  15. Conceptual Steps towards Exploring the Fundamental Nature of our Sun

    E-Print Network [OSTI]

    A. Grandpierre

    2004-07-19T23:59:59.000Z

    One of the basic questions of solar research is the nature of the Sun. We show here how the plasma nature of the Sun leads to the self-generation of solar activity. The release of magnetic, rotational, gravitational, nuclear energies and that of the gravity mode oscillations deviate from uniformity and spherical symmetry. Through instabilities they lead to the emergence of sporadic and localized regions like flux tubes, electric filaments, magnetic elements and high temperature regions. A systematic approach exploring the solar collective degrees of freedom, extending to ordering phenomena of the magnetic features related to Higgs fields, is presented. Handling solar activity as transformations of energies from one form to another one presents a picture on the network of the energy levels of the Sun, showing that the Sun is neither a mere "ball of gas" nor a "quiescent steady-state fusion-reactor machine", but a complex self-organizing system. Since complex self-organizing systems are similar to living systems (and, by some opinion, identical with them), we also consider what arguments indicate the living nature of the Sun. Thermodynamic characteristics of the inequilibrium Sun are found important in this respect and numerical estimations of free energy rate densities and specific exergies are derived. KEY WORDS solar physics, degrees of freedom, self-organizing complex systems, non-equilibrium thermodynamics, astrobiology CLASSIFICATION PACS: 01.70.+w, 96.60.Rd

  16. A High Temperature Liquid Plasma Model of the Sun

    E-Print Network [OSTI]

    Pierre-Marie Robitaille

    2004-10-04T23:59:59.000Z

    In this work, a liquid model of the Sun is presented wherein the entire solar mass is viewed as a high density/high energy plasma. This model challenges our current understanding of the densities associated with the internal layers of the Sun, advocating a relatively constant density, almost independent of radial position. The incompressible nature of liquids is advanced to prevent solar collapse from gravitational forces. The liquid plasma model of the Sun is a non-equilibrium approach, where nuclear reactions are free to occur throughout the solar mass. The primary means of addressing internal heat transfer are convection and conduction. As a result of the convective processes on the solar surface, the liquid model brings into question the established temperature of the solar photosphere by highlighting a violation of Kirchhoff's law of thermal emission. Along these lines, the model emphasizes that radiative emission is a surface phenomenon. Strong evidence is provided that the Sun is a high density/high energy liquid plasma. This evidence is based on our knowledge of Planckian thermal emission and condensed matter, including the existence of pressure ionization and liquid metallic hydrogen at high temperatures and pressures. The equations of magnetohydrodynamics are invoked as the proper vehicle for the understanding od stellar convection and structure. Prior to introducing the liquid plasma model, the historic and scientific justifications for the gaseous model of the Sun are reviewed and the gaseous equations of state are also discussed.

  17. X-ray Fading and Expansion in the "Miniature Supernova Remnant" of GK Persei

    E-Print Network [OSTI]

    Takei, D; Yamaguchi, H; Slane, P; Uchiyama, Y; Katsuda, S

    2015-01-01T23:59:59.000Z

    We report on a second epoch of Chandra X-ray imaging spectroscopy of the spatially-resolved old nova remnant GK Persei. An ACIS-S3 observation of 97.4 ks was conducted in November 2013 after a lapse of 13.8 years from the last visit in 2000. The X-ray emitting nebula appeared more faint and patchy compared with the first epoch. The flux decline was particularly evident in fainter regions and the mean decline was 30-40 % in the 0.5-1.2 keV energy band. A typical expansion of the brightest part of the remnant was 1.9 arcsec, which corresponds to an expansion rate of 0.14 arcsec yr^{-1}. The soft X-ray spectra extracted from both the 2000 and 2013 data can be explained by a non-equilibrium ionization collisional plasma model convolved with interstellar absorption, though do not allow us to constrain the origin of the flux evolution. The plasma temperature has not significantly evolved since the 2000 epoch and we conclude that the fading of the X-ray emission is due largely to expansion. This implies that recent ...

  18. Transport, Aharonov-Bohm, and Topological Effects in Graphene Molecular Junctions and Graphene Nanorings

    E-Print Network [OSTI]

    Constantine Yannouleas; Igor Romanovsky; Uzi Landman

    2015-02-16T23:59:59.000Z

    The unique ultra-relativistic, massless, nature of electron states in two-dimensional extended graphene sheets, brought about by the honeycomb lattice arrangement of carbon atoms in two-dimensions, provides ingress to explorations of fundamental physical phenomena in graphene nanostructures. Here we explore the emergence of new behavior of electrons in atomically precise segmented graphene nanoribbons (GNRs) and graphene rings with the use of tight-binding calculations, non-equilibrium Green's function transport theory, and a newly developed Dirac continuum model that absorbs the valence-to-conductance energy gaps as position-dependent masses, including topological-in-origin mass-barriers at the contacts between segments. Through transport investigations in variable-width segmented GNRs with armchair, zigzag, and mixed edge terminations we uncover development of new Fabry-Perot-like interference patterns in segmented GNRs, a crossover from the ultra-relativistic massless regime, characteristic of extended graphene systems, to a massive relativistic behavior in narrow armchair GNRs, and the emergence of nonrelativistic behavior in zigzag-terminated GNRs. Evaluation of the electronic states in a polygonal graphene nanoring under the influence of an applied magnetic field in the Aharonov-Bohm regime, and their analysis with the use of a relativistic quantum-field theoretical model, unveils development of a topological-in-origin zero-energy soliton state and charge fractionization. These results provide a unifying framework for analysis of electronic states, coherent transport phenomena, and the interpretation of forthcoming experiments in segmented graphene nanoribbons and polygonal rings.

  19. Modulation of contact resistance between metal and graphene by controlling the graphene edge, contact area, and point defects: An ab initio study

    SciTech Connect (OSTI)

    Ma, Bo; Wen, Yanwei, E-mail: ywwen@hust.edu.cn, E-mail: bshan@mail.hust.edu.cn [State Key Laboratory of Material Processing and Die and Mould Technology and School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Gong, Cheng; Cho, Kyeongjae [Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, Texas 75080 (United States); Chen, Rong [State Key Laboratory of Digital Manufacturing Equipment and Technology and School of Mechanical Science and Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Shan, Bin, E-mail: ywwen@hust.edu.cn, E-mail: bshan@mail.hust.edu.cn [State Key Laboratory of Material Processing and Die and Mould Technology and School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, Texas 75080 (United States)

    2014-05-14T23:59:59.000Z

    A systematic first-principles non-equilibrium Green's function study is conducted on the contact resistance between a series of metals (Au, Ag, Pt, Cu, Ni, and Pd) and graphene in the side contact geometry. Different factors such as the termination of the graphene edge, contact area, and point defect in contacted graphene are investigated. Notable differences are observed in structural configurations and electronic transport characteristics of these metal-graphene contacts, depending on the metal species and aforementioned influencing factors. It is found that the enhanced chemical reactivity of the graphene due to dangling bonds from either the unsaturated graphene edge or point defects strengthens the metal-graphene bonding, leading to a considerable contact resistance reduction for weakly interacting metals Au and Ag. For stronger interacting metals Pt and Cu, a slightly reduced contact resistance is found due to such influencing factors. However, the wetting metals Ni and Pd most strongly hybridize with graphene, exhibiting negligible dependence on the above influencing factors. This study provides guidance for the optimization of metal-graphene contacts at an atomic scale.

  20. Amorphization and recrystallization of single-crystalline hydrogen titanate nanowires by N{sup +} ion irradiation

    SciTech Connect (OSTI)

    Behera, Akshaya K.; Bandyopadyay, Malay K.; Chatterjee, Shyamal, E-mail: shyamal@iitbbs.ac.in [School of Basic Sciences, Indian Institute of Technology Bhubaneswar, Bhubaneswar 751007 (India); Facsko, Stefan [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, 01328 Dresden (Germany); Das, Siddhartha [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India)

    2014-06-21T23:59:59.000Z

    We report on the phase transformation of hydrogen titanate (H{sub 2}Ti{sub 3}O{sub 7}) nanowires induced by 50?keV N{sup +} ion irradiation at room temperature with fluences of 1?×?10{sup 15} ions/cm{sup 2} and 1?×?10{sup 16} ions/cm{sup 2}, respectively. Using transmission electron microscopy, the internal structure of the ion irradiated nanowires is analyzed. At low fluence, a transformation from crystalline H{sub 2}Ti{sub 3}O{sub 7} to amorphous TiO{sub 2} is observed. However, at higher fluence, a remarkable crystalline-amorphous TiO{sub 2} core-shell structure is formed. At this higher fluence, the recrystallization occurs in the core of the nanowire and the outer layer remains amorphous. The phase transformation and formation of core-shell structure are explained using the thermal spike model, radiation enhanced diffusion, and classical theory of nucleation and growth under non-equilibrium thermodynamics. X-ray photoelectron spectroscopy and Raman scattering reveal further insight into the structure of the nanowires before and after ion irradiation.

  1. Effects of confining pressure, pore pressure and temperature on absolute permeability. SUPRI TR-27

    SciTech Connect (OSTI)

    Gobran, B.D.; Ramey, H.J. Jr.; Brigham, W.E.

    1981-10-01T23:59:59.000Z

    This study investigates absolute permeability of consolidated sandstone and unconsolidated sand cores to distilled water as a function of the confining pressure on the core, the pore pressure of the flowing fluid and the temperature of the system. Since permeability measurements are usually made in the laboratory under conditions very different from those in the reservoir, it is important to know the effect of various parameters on the measured value of permeability. All studies on the effect of confining pressure on absolute permeability have found that when the confining pressure is increased, the permeability is reduced. The studies on the effect of temperature have shown much less consistency. This work contradicts the past Stanford studies by finding no effect of temperature on the absolute permeability of unconsolidated sand or sandstones to distilled water. The probable causes of the past errors are discussed. It has been found that inaccurate measurement of temperature at ambient conditions and non-equilibrium of temperature in the core can lead to a fictitious permeability reduction with temperature increase. The results of this study on the effect of confining pressure and pore pressure support the theory that as confining pressure is increased or pore pressure decreased, the permeability is reduced. The effects of confining pressure and pore pressure changes on absolute permeability are given explicitly so that measurements made under one set of confining pressure/pore pressure conditions in the laboratory can be extrapolated to conditions more representative of the reservoir.

  2. Time-Dependent CO[subscript 2] Sorption Hysteresis in a One-Dimensional Microporous Octahedral Molecular Sieve

    SciTech Connect (OSTI)

    Espinal, Laura; Wong-Ng, Winnie; Kaduk, James A.; Allen, Andrew J.; Snyder, Chad R.; Chiu, Chun; Siderius, Daniel W.; Li, Lan; Cockayne, Eric; Espinal, Anais E.; Suib, Steven L. (IIT); (NIST); (Connecticut)

    2014-09-24T23:59:59.000Z

    The development of sorbents for next-generation CO{sub 2} mitigation technologies will require better understanding of CO{sub 2}/sorbent interactions. Among the sorbents under consideration are shape-selective microporous molecular sieves with hierarchical pore morphologies of reduced dimensionality. We have characterized the non-equilibrium CO{sub 2} sorption of OMS-2, a well-known one-dimensional microporous octahedral molecular sieve with manganese oxide framework. Remarkably, we find that the degree of CO{sub 2} sorption hysteresis increases when the gas/sorbent system is allowed to equilibrate for longer times at each pressure step. Density functional theory calculations indicate a 'gate-keeping' role of the cation in the tunnel, only allowing CO{sub 2} molecules to enter fully into the tunnel via a highly unstable transient state when CO{sub 2} loadings exceed 0.75 mmol/g. The energy barrier associated with the gate-keeping effect suggests an adsorption mechanism in which kinetic trapping of CO{sub 2} is responsible for the observed hysteretic behavior.

  3. Pasta Nucleosynthesis: Molecular dynamics simulations of nuclear statistical equilibrium

    E-Print Network [OSTI]

    M. E. Caplan; A. S. Schneider; C. J. Horowitz; D. K. Berry

    2014-12-29T23:59:59.000Z

    Background: Exotic non-spherical nuclear pasta shapes are expected in nuclear matter at just below saturation density because of competition between short range nuclear attraction and long range Coulomb repulsion. Purpose: We explore the impact of nuclear pasta on nucleosynthesis, during neutron star mergers, as cold dense nuclear matter is ejected and decompressed. Methods: We perform classical molecular dynamics simulations with 51200 and 409600 nucleons, that are run on GPUs. We expand our simulation region to decompress systems from an initial density of 0.080 fm^{-3} down to 0.00125 fm^{-3}. We study proton fractions of Y_P=0.05, 0.10, 0.20, 0.30, and 0.40 at T =0.5, 0.75, and 1.0 MeV. We calculate the composition of the resulting systems using a cluster algorithm. Results: We find final compositions that are in good agreement with nuclear statistical equilibrium models for temperatures of 0.75 and 1 MeV. However, for proton fractions greater than Y_P=0.2 at a temperature of T = 0.5 MeV, the MD simulations produce non-equilibrium results with large rod-like nuclei. Conclusions: Our MD model is valid at higher densities than simple nuclear statistical equilibrium models and may help determine the initial temperatures and proton fractions of matter ejected in mergers.

  4. The role of radiative reabsorption on the electron energy distribution functions in H{sub 2}/He plasma expansion through a tapered nozzle

    SciTech Connect (OSTI)

    D'Ammando, Giuliano, E-mail: g.dammando@chimica.uniba.it; Capitelli, Mario, E-mail: mario.capitelli@ba.imip.cnr.it [Dipartimento di Chimica, Universitá di Bari, Via Orabona 4, 70125 Bari (Italy); CNR-IMIP, Via Amendola 122/D, 70126 Bari (Italy); Esposito, Fabrizio, E-mail: fabrizio.esposito@ba.imip.cnr.it; Laricchiuta, Annarita, E-mail: annarita.laricchiuta@ba.imip.cnr.it; Pietanza, Lucia D., E-mail: daniela.pietanza@ba.imip.cnr.it; Colonna, Gianpiero, E-mail: gianpiero.colonna@ba.imip.cnr.it [CNR-IMIP, Via Amendola 122/D, 70126 Bari (Italy)

    2014-09-15T23:59:59.000Z

    A collisional-radiative model for the H{sub 2}/He plasma, coupled to a Boltzmann solver for the free electron kinetics is used to investigate the non-equilibrium conditions created in the expansion of an high-temperature plasma flow through a converging-diverging nozzle, starting from the steady state composition at T{sub 0}=10?000?K and p{sub 0}=1?atm in the reservoir. It is shown that the plasma optical thickness plays a major role on the evolution of macroscopic quantities and internal distributions along the nozzle axis. Structured electron energy distribution functions, characterized by long plateaux and humps, are created due to superelastic collisions of cold electrons and electronically excited atomic hydrogen. The magnitudes of the plateaux are orders of magnitude higher in an optically thick plasma compared with a thin plasma, while the electron-electron collisions play a role in smoothing the peaks created by superelastic collisions between cold electrons and H(n>2)

  5. Thermodynamics of quantum jump trajectories in systems driven by classical fluctuations

    E-Print Network [OSTI]

    Adrian A. Budini

    2010-12-03T23:59:59.000Z

    The large-deviation method can be used to study the measurement trajectories of open quantum systems. For optical arrangements this formalism allows to describe the long time properties of the (non-equilibrium) photon counting statistics in the context of a (equilibrium) thermodynamic approach defined in terms of dynamical phases and transitions between them in the trajectory space [J.P. Garrahan and I. Lesanovsky, Phys. Rev. Lett. 104, 160601 (2010)]. In this paper, we study the thermodynamic approach for fluorescent systems coupled to complex reservoirs that induce stochastic fluctuations in their dynamical parameters. In a fast modulation limit the thermodynamics corresponds to that of a Markovian two-level system. In a slow modulation limit, the thermodynamic properties are equivalent to those of a finite system that in an infinite-size limit is characterized by a first-order transition. The dynamical phases correspond to different intensity regimes, while the size of the system is measured by the transition rate of the bath fluctuations. As a function of a dimensionless intensive variable, the first and second derivative of the thermodynamic potential develop an abrupt change and a narrow peak respectively. Their scaling properties are consistent with a double-Gaussian probability distribution of the associated extensive variable.

  6. Gravitational wave background from Standard Model physics: Qualitative features

    E-Print Network [OSTI]

    Ghiglieri, J

    2015-01-01T23:59:59.000Z

    Because of physical processes ranging from microscopic particle collisions to macroscopic hydrodynamic fluctuations, any plasma in thermal equilibrium emits gravitational waves. For the largest wavelengths the emission rate is proportional to the shear viscosity of the plasma. In the Standard Model at T > 160 GeV, the shear viscosity is dominated by the most weakly interacting particles, right-handed leptons, and is relatively large. We estimate the order of magnitude of the corresponding spectrum of gravitational waves. Even though at small frequencies (corresponding to the sub-Hz range relevant for planned observatories such as eLISA) this background is tiny compared with that from non-equilibrium sources, the total energy carried by the high-frequency part of the spectrum is non-negligible if the production continues for a long time. We suggest that this may constrain (weakly) the highest temperature of the radiation epoch. Observing the high-frequency part directly sets a very ambitious goal for future ge...

  7. Formation of magnetic discontinuities through viscous relaxation

    SciTech Connect (OSTI)

    Kumar, Sanjay; Bhattacharyya, R. [Udaipur Solar Observatory, Physical Research Laboratory, Dewali, Bari Road, Udaipur-313001 (India); Smolarkiewicz, P. K. [European Centre for Medium-Range Weather Forecasts, Reading RG2 9AX (United Kingdom)

    2014-05-15T23:59:59.000Z

    According to Parker's magnetostatic theorem, tangential discontinuities in magnetic field, or current sheets (CSs), are generally unavoidable in an equilibrium magnetofluid with infinite electrical conductivity and complex magnetic topology. These CSs are due to a failure of a magnetic field in achieving force-balance everywhere and preserving its topology while remaining in a spatially continuous state. A recent work [Kumar, Bhattacharyya, and Smolarkiewicz, Phys. Plasmas 20, 112903 (2013)] demonstrated this CS formation utilizing numerical simulations in terms of the vector magnetic field. The magnetohydrodynamic simulations presented here complement the above work by demonstrating CS formation by employing a novel approach of describing the magnetofluid evolution in terms of magnetic flux surfaces instead of the vector magnetic field. The magnetic flux surfaces being the possible sites on which CSs develop, this approach provides a direct visualization of the CS formation, helpful in understanding the governing dynamics. The simulations confirm development of tangential discontinuities through a favorable contortion of magnetic flux surfaces, as the magnetofluid undergoes a topology-preserving viscous relaxation from an initial non-equilibrium state with twisted magnetic field. A crucial finding of this work is in its demonstration of CS formation at spatial locations away from the magnetic nulls.

  8. Response to Comment on '#28;Twin Symmetry Texture of Energetically Condensed 2 Niobium Thin Films on Sapphire Substrate' #29; [J. Appl. Phys. 110, 033523(2011)

    SciTech Connect (OSTI)

    Xin Zhao, Charles Reece, Phillips Larry, Mahadevan Krishnan, Kang Seo

    2012-07-01T23:59:59.000Z

    Welander commented that in our article [J. Appl. Phys. 110, 033523(2011)] , Zhao et al claim to have found a new three-dimensional (3D) relationship for niobium-on-sapphire epitaxy?. Welander might have misunderstood the purpose of our article, which was to show that energetic condensation of Nb on sapphire drives crystal growth that is quite distinct from the type of epitaxy encountered in lower energy deposition. Welander is correct about the misidentified crystal-directions in the top-view sapphire lattice (Fig.4[ref.1]). He is also correct about the misorientation of the pole figures in Fig4[ref.1]. In Fig.1 of this response, we have corrected these errors. Perhaps because of these errors, Welander misconstrued our discussion of the Nb crystal growth as claiming a new 3D registry. That was not our intention. Rather, we wished to highlight the role of energetic condensation that drives low-defect crystal growth by a combination of non-equilibrium sub-plantation that disturbs the substrate lattice and thermal annealing that annihilates defects and promotes large-grain crystal growth.

  9. Strange Attractors Characterizing the Osmotic Instability

    E-Print Network [OSTI]

    Stephan I. Tzenov

    2014-06-04T23:59:59.000Z

    In the present paper a simple dynamical model for computing the osmotically driven fluid flow in a variety of complex, non equilibrium situations is derived from first principles. Using the Oberbeck-Boussinesq approximation, the basic equations describing the process of forward osmosis have been obtained. It has been shown that these equations are very similar to the ones used to model the free Rayleigh-Benard convection. The difference is that while in the case of thermal convection the volume expansion is driven by the coefficient of thermal expansion, the key role for the osmotic instability is played by the coefficient of isothermal compressibility. In addition, it has been shown that the osmotic process represents a propagation of standing waves with time-dependent amplitudes and phase velocity, which equals the current velocity of the solvent passing through the semi-permeable membrane. The evolution of the amplitudes of the osmotic waves is exactly following the dynamics of a strange attractor of Lorenz type with corresponding control parameters.

  10. Horizontal Steam Generator Thermal-Hydraulics at Various Steady-State Power Levels

    SciTech Connect (OSTI)

    Stevanovic, Vladimir D. [University of Belgrade, Kraljice Marije 16, 11000 Belgrade, Serbia and Montenegro (Yugoslavia); Stosic, Zoran V.; Kiera, Michael; Stoll, Uwe [Framatome ANP GmbH, P.O. Box 3220, 91050 Erlangen (Germany)

    2002-07-01T23:59:59.000Z

    Three-dimensional computer simulation and analyses of the horizontal steam generator thermal-hydraulics of the WWER 1000 nuclear power plant have been performed for 50% and 75% partial loads, 100% nominal load and 110% over-load. Presented results show water and steam mass flow rate vectors, steam void fraction spatial distribution, recirculation zones, swell level position, water mass inventory on the shell side, and other important thermal-hydraulic parameters. The simulations have been performed with the computer code 3D ANA, based on the 'two-fluid' model approach. Steam-water interface transport processes, as well as tube bundle flow resistance, energy transfer, and steam generation within tube bundles are modelled with {sup c}losure laws{sup .} Applied approach implies non-equilibrium thermal and flow conditions. The model is solved by the control volume procedure, which has been extended in order to take into account the 3D flow of liquid and gas phase. The methodology is validated by comparing numerical and experimental results of real steam generator operational conditions at various power levels of the WWER Novovoronezh, Unit 5. One-dimensional model of the horizontal steam generator has been built with the RELAP 5 standard code on the basis of the multidimensional two-phase flow structure obtained with the 3D ANA code. RELAP 5 and 3D ANA code results are compared, showing acceptable agreement. (authors)

  11. Application of Momentum Transfer Theory for Ion and Electron Transport in Pure Gases and in Gas Mixtures

    SciTech Connect (OSTI)

    Jovanovic, J.V. [Institute of Physics, P.O.Box 68, 11080 Zemun, Belgrade (Serbia and Montenegro); Faculty of Mechanical Engineering, 11000 Belgrade (Serbia and Montenegro); Vrhovac, S. B. [Institute of Physics, P.O.Box 68, 11080 Zemun, Belgrade (Serbia and Montenegro)

    2004-12-01T23:59:59.000Z

    In this paper we have presented two applications of Momentum Transfer Theory (MTT), which were both aimed at obtaining reliable data for modeling of non-equilibrium plasma. Transport properties of ion swarms in presence of Resonant Charge Transfer (RCT) collisions are studied using Momentum Transfer Theory (MTT). Using the developed MTT we tested a previously available anisotropic set of cross-sections for Ar++Ar collisions bay making the comparisons with the available data for the transverse diffusion coefficient. We also developed an anisotropic set of Ne++Ne integral cross-sections based on the available data for mobility, longitudinal and transverse diffusion. Anisotropic sets of cross-sections are needed for Monte Carlo simulations of ion transport and plasma models. Application of Blanc's Law for drift velocities of electrons and ions in gas mixtures at arbitrary reduced electric field strengths E/n0 was studied theoretically and by numerical examples. Corrections for Blanc's Law that include effects of inelastic collisions were derived. In addition we have derived the common mean energy procedure that was proposed by Chiflikian in a general case both for ions and electrons. Both corrected common E/n0 and common mean energy procedures provide excellent results even for electrons at moderate E/n0 where application of Blanc's Law was regarded as impossible. In mixtures of two gases that have negative differential conductivity (NDC) even when neither of the two pure gases show NDC the Blanc's Law procedure was able to give excellent predictions.

  12. High Dynamic Range Beam Imaging with Two Simultaneously Sampling CCDs

    SciTech Connect (OSTI)

    Evtushenko, Pavel E. [JLAB; Douglas, David R. [JLAB

    2013-06-01T23:59:59.000Z

    Transverse beam profile measurement with sufficiently high dynamic range (HDR) is a key diagnostic to measure the beam halo, understand its sources and evolution. In this contribution we describe our initial experience with the HDR imaging of the electron beam at the JLab FEL. On contrary to HDR measurements made with wire scanners in counting mode, which provide only two or three 1D projections of transverse beam distribution, imaging allows to measure the distribution itself. That is especially important for non-equilibrium beams in the LINACs. The measurements were made by means of simultaneous imaging with two CCD sensors with different exposure time. Two images are combined then numerically in to one HDR image. The system works as an online tool providing HDR images at 4 Hz. An optically polished YAG:Ce crystal with the thickness of 100 {micro}m was used for the measurements. When tested with a laser beam images with the DR of about 10{sup 5} were obtained. With the electron beam the DR was somewhat smaller due to the limitations in the time structure of the tune-up beam macro pulse.

  13. High Dynamic Range Beam Imaging with Two Simultaneously Sampling CCDs

    SciTech Connect (OSTI)

    Evtushenko, Pavel [JLAB; Douglas, David R. [JLAB; Legg, Robert A. [JLAB; Tennant, Christopher D. [JLAB

    2013-05-01T23:59:59.000Z

    Transverse beam profile measurement with sufficiently high dynamic range (HDR) is a key diagnostic to measure the beam halo, understand its sources and evolution. In this contribution we describe our initial experience with the HDR imaging of the electron beam at the JLab FEL. On contrary to HDR measurements made with wire scanners in counting mode, which provide only two or three 1D projections of transverse beam distribution, imaging allows to measure the distribution itself. That is especially important for non-equilibrium beams in the LINACs. The measurements were made by means of simultaneous imaging with two CCD sensors with different exposure time. Two images are combined then numerically in to one HDR image. The system works as an online tool providing HDR images at 4 Hz. An optically polished YAG:Ce crystal with the thickness of 100 {micro}m was used for the measurements. When tested with a laser beam images with the DR of about 10{sup 5} were obtained. With the electron beam the DR was somewhat smaller due to the limitations in the time structure of the tune-up beam macro pulse.

  14. Intermetallic compound formation at Cu-Al wire bond interface

    SciTech Connect (OSTI)

    Bae, In-Tae; Young Jung, Dae [Small Scale Systems Integration and Packaging Center, State University of New York at Binghamton, Binghamton, New York 13902 (United States); Chen, William T.; Du Yong [Advanced Semiconductor Engineering Inc., 1255 E Arques Ave, Sunnyvale, California 94085 (United States)

    2012-12-15T23:59:59.000Z

    Intermetallic compound (IMC) formation and evolution at Cu-Al wire bond interface were studied using focused ion beam /scanning electron microscopy, transmission electron microscopy (TEM)/energy dispersive x-ray spectroscopy (EDS), nano beam electron diffraction (NBED) and structure factor (SF) calculation. It was found that discrete IMC patches were formed at the Cu/Al interface in as-packaged state and they grew toward Al pad after high temperature storage (HTS) environment at 150 Degree-Sign C. TEM/EDS and NBED results combined with SF calculation revealed the evidence of metastable {theta} Prime -CuAl{sub 2} IMC phase (tetragonal, space group: I4m2, a = 0.404 nm, c= 0.580 nm) formed at Cu/Al interfaces in both of the as-packaged and the post-HTS samples. Two feasible mechanisms for the formation of the metastable {theta} Prime -CuAl{sub 2} phase are discussed based on (1) non-equilibrium cooling of wire bond that is attributed to highly short bonding process time and (2) the epitaxial relationships between Cu and {theta} Prime -CuAl{sub 2}, which can minimize lattice mismatch for {theta} Prime -CuAl{sub 2} to grow on Cu.

  15. Plasma and Ion Assistance in Physical Vapor Deposition: AHistorical Perspective

    SciTech Connect (OSTI)

    Anders, Andre

    2007-02-28T23:59:59.000Z

    Deposition of films using plasma or plasma-assist can betraced back surprisingly far, namely to the 18th century for arcs and tothe 19th century for sputtering. However, only since the 1960s thecoatings community considered other processes than evaporation for largescale commercial use. Ion Plating was perhaps the first importantprocess, introducing vapor ionization and substrate bias to generate abeam of ions arriving on the surface of the growing film. Ratherindependently, cathodic arc deposition was established as an energeticcondensation process, first in the former Soviet Union in the 1970s, andin the 1980s in the Western Hemisphere. About a dozen various ion-basedcoating technologies evolved in the last decades, all characterized byspecific plasma or ion generation processes. Gridded and gridless ionsources were taken from space propulsion and applied to thin filmdeposition. Modeling and simulation have helped to make plasma and ionseffects to be reasonably well understood. Yet--due to the complex, oftennon-linear and non-equilibrium nature of plasma and surfaceinteractions--there is still a place for the experience plasma"sourcerer."

  16. The nature of the glass and gel transitions in sticky spheres

    E-Print Network [OSTI]

    C. Patrick Royall; Stephen R. Williams; Hajime Tanaka

    2014-09-18T23:59:59.000Z

    Glasses and gels are the two dynamically arrested, disordered states of matter. Despite their importance, their similarities and differences remain elusive, especially at high density. We identify dynamical and structural signatures which distinguish the gel and glass transitions in a colloidal model system of hard and "sticky" spheres. Gelation is induced by crossing the gas-liquid phase-separation line and the resulting rapid densification of the colloid-rich phase leads to a sharp change in dynamics and local structure. Thus, we find that gelation is first-order-like and can occur at much higher densities than previously thought: far from being low-density networks, gels have a clear "thermodynamic" definition which nevertheless leads to a non-equilibrium state with a distinct local structure characteristic of a rapidly quenched glass. In contrast, approaching the glass transition, the dynamics slow continuously accompanied by the emergence of local five-fold symmetric structure. Our findings provide a general thermodynamic, kinetic, and structural basis upon which to distinguish gelation from vitrification.

  17. Asymmetric Ejecta Distribution of the Cygnus Loop revealed with Suzaku

    E-Print Network [OSTI]

    S. Katsuda; H. Tsunemi; E. Miyata; K. Mori; M. Namiki; N. Nemes; E. D. Miller

    2008-03-03T23:59:59.000Z

    We observed a linearly sliced area of the Cygnus Loop from the north-east to the south-west with Suzaku in seven pointings. After dividing the entire fields of view (FOV) into 119 cells, we extracted spectra from all of the cells and performed spectral analysis for them. We then applied both one- and two-component non-equilibrium ionization (NEI) models for all of the spectra, finding that almost all were significantly better fitted by the two-component NEI model rather than the one-component NEI model. Judging from the abundances, the high-kT_e component must be the ejecta component, while the low-kT_e component comes from the swept-up matter. Therefore, the ejecta turn out to be distributed inside a large area (at least our FOV) of the Cygnus Loop. We divided the entire FOV into northern and southern parts, and found that the ejecta distributions were asymmetric to the geometric center: the ejecta of Si, S, and Fe seem to be distributed more in the south than in the north of the Cygnus Loop by a factor of about 2. The degree of ejecta-asymmetry is consistent with that expected by recent supernova explosion models.

  18. Asymmetric Ejecta Distribution of the Cygnus Loop revealed with Suzaku

    E-Print Network [OSTI]

    Katsuda, S; Miyata, E; Mori, K; Namiki, M; Nemes, N; Miller, E D

    2008-01-01T23:59:59.000Z

    We observed a linearly sliced area of the Cygnus Loop from the north-east to the south-west with Suzaku in seven pointings. After dividing the entire fields of view (FOV) into 119 cells, we extracted spectra from all of the cells and performed spectral analysis for them. We then applied both one- and two-component non-equilibrium ionization (NEI) models for all of the spectra, finding that almost all were significantly better fitted by the two-component NEI model rather than the one-component NEI model. Judging from the abundances, the high-kT_e component must be the ejecta component, while the low-kT_e component comes from the swept-up matter. Therefore, the ejecta turn out to be distributed inside a large area (at least our FOV) of the Cygnus Loop. We divided the entire FOV into northern and southern parts, and found that the ejecta distributions were asymmetric to the geometric center: the ejecta of Si, S, and Fe seem to be distributed more in the south than in the north of the Cygnus Loop by a factor of a...

  19. A CR-hydro-NEI Model of Multi-wavelength Emission from the Vela Jr. Supernova Remnant (SNR RX J0852.0-4622)

    E-Print Network [OSTI]

    Lee, Shiu-Hang; Ellison, Donald C; Nagataki, Shigehiro; Patnaude, Daniel J

    2013-01-01T23:59:59.000Z

    Based largely on energy budget considerations and the observed cosmic-ray (CR) ionic composition, supernova remnant (SNR) blast waves are the most likely sources of CR ions with energies at least up to the "knee" near 3 PeV. Shocks in young shell-type TeV-bright SNRs are surely producing TeV particles, but the emission could be dominated by ions producing neutral pion-decay emission or electrons producing inverse-Compton gamma-rays. Unambiguously identifying the GeV-TeV emission process in a particular SNR will not only help pin down the origin of CRs, it will add significantly to our understanding of the diffusive shock acceleration (DSA) mechanism and improve our understanding of supernovae and the impact SNRs have on the circumstellar medium. In this study, we investigate the Vela Jr. SNR, an example of TeV-bright non-thermal SNRs. We perform hydrodynamic simulations coupled with non-linear DSA and non-equilibrium ionization near the forward shock (FS) to confront currently available multi-wavelength data....

  20. Suzaku Observations of Thermal and Non-Thermal X-Ray Emission from the Middle-Aged Supernova Remnant G156.2+5.7

    E-Print Network [OSTI]

    Katsuda, Satoru; Hwang, Una; Yamaguchi, Hiroya; Mori, Koji; Tsunemi, Hiroshi

    2009-01-01T23:59:59.000Z

    We present results from X-ray analysis of a Galactic middle-aged supernova remnant (SNR) G156.2+5.7 which is bright and largely extended in X-ray wavelengths, showing a clear circular shape (radius about 50'). Using the Suzaku satellite, we observed this SNR in three pointings; partially covering the northwestern rim, the eastern rim, and the central portion of this SNR. In the northwestern rim and the central portion, we confirm that the X-ray spectra consist of soft and hard-tail emission, while in the eastern rim we find no significant hard-tail emission. The soft emission is well fitted by non-equilibrium ionization (NEI) model. In the central portion, a two-component (the interstellar medium and the metal-rich ejecta) NEI model fits the soft emission better than a one-component NEI model from a statistical point of view. The relative abundances in the ejecta component suggest that G156.2+5.7 is a remnant from a core-collapse SN explosion whose progenitor mass is less than 15 M_solar. The origin of the ha...

  1. Internal dynamics and activated processes in Soft-Glassy materials

    E-Print Network [OSTI]

    R. Benzi; M. Sbragaglia; A. Scagliarini; P. Perlekar; M. Bernaschi; S. Succi; F. Toschi

    2014-10-24T23:59:59.000Z

    Plastic rearrangements play a crucial role in the characterization of soft-glassy materials, such as emulsions and foams. Based on numerical simulations of soft-glassy systems, we study the dynamics of plastic rearrangements at the hydrodynamic scales where thermal fluctuations can be neglected. Plastic rearrangements require an energy input, which can be either provided by external sources, or made available through time evolution in the coarsening dynamics, in which the total interfacial area decreases as a consequence of the slow evolution of the dispersed phase from smaller to large droplets/bubbles. We first demonstrate that our hydrodynamic model can quantitatively reproduce such coarsening dynamics. Then, considering periodically oscillating strains, we characterize the number of plastic rearrangements as a function of the external energy-supply, and show that they can be regarded as activated processes induced by a suitable "noise" effect. Here we use the word noise in a broad sense, referring to the internal non-equilibrium dynamics triggered by spatial random heterogeneities and coarsening. Finally, by exploring the interplay between the internal characteristic time-scale of the coarsening dynamics and the external time-scale associated with the imposed oscillating strain, we show that the system exhibits the phenomenon of stochastic resonance, thereby providing further credit to the mechanical activation scenario.

  2. Why we live in 3 Dimensions

    E-Print Network [OSTI]

    Carlos Castro; Alex Granik; M. S. El Naschie

    2000-08-18T23:59:59.000Z

    A Cantorian fractal spacetime, a family member of von Neumann's noncommutative geometry is introduced as a geometry underlying a new relativity theory which is similar to the relation between general relativity and Riemannian geometry. Based on this model and the new relativity theory an ensemble distribution of all the dimensions of quantum spacetime is derived with the help of Fermat grand theorem. The calculated average dimension is very close to the value of $4+\\phi^3 $ (where $\\phi$ is the golden mean) obtained by El Naschie on the basis of a different approach. It is shown that within the framework of the new relativity the cosmological constant problem is nonexistent, since the Universe self-organizes and self-tunes according to the renormalization group (RG) flow with respect to a local scaling microscopic arrow of time. This implies that the world emerged as a result of a non-equilibrium process of self-organized critical phenomena launched by vacuum fluctuations in Cantorian fractal spacetime $\\cal E^{\\infty}$. It is shown that we are living in a metastable vacuum and are moving towards a fixed point ($ D$ = 4+$\\phi^3$) of the RG. After reaching this point, a new phase transition will drive the universe to a quasi-crystal phase of the lower average dimension of $\\phi^3$.

  3. Brownian ratchet in a thermal bath driven by Coulomb friction

    E-Print Network [OSTI]

    A. Gnoli; A. Petri; F. Dalton; G. Gradenigo; G. Pontuale; A. Sarracino; A. Puglisi

    2013-01-14T23:59:59.000Z

    The rectification of unbiased fluctuations, also known as the ratchet effect, is normally obtained under statistical non-equilibrium conditions. Here we propose a new ratchet mechanism where a thermal bath solicits the random rotation of an asymmetric wheel, which is also subject to Coulomb friction due to solid-on-solid contacts. Numerical simulations and analytical calculations demonstrate a net drift induced by friction. If the thermal bath is replaced by a granular gas, the well known granular ratchet effect also intervenes, becoming dominant at high collision rates. For our chosen wheel shape the granular effect acts in the opposite direction with respect to the friction-induced torque, resulting in the inversion of the ratchet direction as the collision rate increases. We have realized a new granular ratchet experiment where both these ratchet effects are observed, as well as the predicted inversion at their crossover. Our discovery paves the way to the realization of micro and sub-micrometer Brownian motors in an equilibrium fluid, based purely upon nano-friction.

  4. Soft matter in hard confinement: phase transition thermodynamics, structure, texture, diffusion and flow in nanoporous media - topical review

    E-Print Network [OSTI]

    Patrick Huber

    2015-02-16T23:59:59.000Z

    Spatial confinement in nanoporous media affects the structure, thermodynamics and mobility of molecular soft matter often markedly. This article reviews thermodynamic equilibrium phenomena, such as physisorption, capillary condensation, crystallisation, self-diffusion, and structural phase transitions as well as selected aspects of the emerging field of spatially confined, non-equilibrium physics, i.e. the rheology of liquids, capillarity-driven flow phenomena, and imbibition front broadening in nanoporous materials. The observations in the nanoscale systems are related to the corresponding bulk phenomenologies. The complexity of the confined molecular species is varied from simple building blocks, like noble gas atoms, normal alkanes and alcohols to liquid crystals, polymers, ionic liquids, proteins and water. Mostly, experiments with mesoporous solids of alumina, carbon, gold, silica, and silicon having pore diameters ranging from a few up to 50 nanometers are presented. The observed peculiarities of nanopore-confined condensed matter are also discussed with regard to applications. A particular emphasis is put on texture formation upon crystallisation in nanoporous media, a topic both of high fundamental interest and of increasing nanotechnological importance, e.g., for the synthesis of organic/inorganic hybrid materials by melt infiltration, the usage of nanoporous solids in crystal nucleation or in template-assisted electrochemical deposition of nano structures.

  5. Studying Complexity in Solar Wind Plasma During Shock Events. Part I: Nonextensive Tsallis Statistics

    E-Print Network [OSTI]

    G. P. Pavlos; A. C. Iliopoulos; G. N. Zastenker; L. M. Zelenyi; L. P. Karakatsanis; M. Riazantseva; M. N. Xenakis; E. G. Pavlos

    2013-10-01T23:59:59.000Z

    Novel results which reveal phase transition processes in the solar wind plasma during shock events are presented in this study which is the first part of a trilogy concerning the solar wind complexity. Solar wind plasma is a typical case of stochastic spatiotemporal distribution of physical magnitudes such as force fields (B, E) and matter fields (particle and current densities or bulk plasma distributions). The results of this study can be understood in the framework of modern theoretical concepts such as non-extensive statistical mechanics (Tsallis, 2009), fractal topology (Zelenyi and Milovanov, 2004), turbulence theory (Frisch,1996), strange dynamics (Zaslavsky, 2002), percolation theory (Milovanov, 1997), anomalous diffusion theory and anomalous transport theory (Milovanov, 2001), fractional dynamics (Tarasov, 2007) and non-equilibrium phase transition theory (Chang, 1992). This study shows clearly the non-extensive and non-Gaussian character of the solar wind plasma and the existence of multi-scale strong correlations from the microscopic to the macroscopic level. This result indicates the inefficiency of classical MHD or plasma statistical theories based on the classical central limit theorem to explain the complexity of the solar wind dynamics, since these theories include smooth and differentiable spatial-temporal functions (MHD theory) or Gaussian statistics (Boltzmann-Maxwell statistical mechanics). However, the results of this study indicate the presence of non-Gaussian non-extensive statistics with heavy tails probability distribution functions, which are related to the q-extension of central limit theorem.

  6. MoS2 Nanoribbons Thermoelectric Generators

    E-Print Network [OSTI]

    Arab, Abbas

    2015-01-01T23:59:59.000Z

    In this work, we have designed and simulated new thermoelectric generator based on monolayer and few-layer MoS2 nanoribbons. The proposed thermoelectric generator is composed of thermocouples made of both n-type and p-type MoS2 nanoribbon legs. Density Functional Tight-Binding Non-Equilibrium Green's Function (DFTB-NEGF) method has been used to calculate the transmission spectrum of MoS2 armchair and zigzag nanoribbons. Phonon transmission spectrum are calculated based on parameterization of Stillinger-Weber potential. Thermoelectric figure of merit, ZT, is calculated using these electronic and phonon transmission spectrum. Monolayer and bilayer MoS2 armchair nanoribbons are found to have the highest ZT value for p-type and n-type legs, repectively. Moreover, we have compared the thermoelectric current of doped monolayer MoS2 armchair nanoribbons and SZi thin films. Results indicate that thermoelectric current of MoS2 monolayer nanoribbons is several orders of magnitude higher than that of Si thin films.

  7. Two-particle irreducible effective actions versus resummation: analytic properties and self-consistency

    E-Print Network [OSTI]

    Michael Brown; Ian Whittingham

    2015-03-30T23:59:59.000Z

    Approximations based on two-particle irreducible (2PI) effective actions (also known as $\\Phi$-derivable, Cornwall-Jackiw-Tomboulis or Luttinger-Ward functionals depending on context) have been widely used in condensed matter and non-equilibrium quantum/statistical field theory because this formalism gives a robust, self-consistent, non-perturbative and systematically improvable approach which avoids problems with secular time evolution. The strengths of 2PI approximations are often described in terms of a selective resummation of Feynman diagrams to infinite order. However, the Feynman diagram series is asymptotic and summation is at best a dangerous procedure. Here we show that, at least in the context of a toy model where exact results are available, the true strength of 2PI approximations derives from their self-consistency rather than any resummation. This self-consistency allows truncated 2PI approximations to capture the branch points of physical amplitudes where adjustments of coupling constants can trigger an instability of the vacuum. This, in effect, turns Dyson's argument for the failure of perturbation theory on its head. As a result we find that 2PI approximations perform better than Pad\\'e approximation, but not as well as Borel summation where the latter is well-defined. Finally, we introduce a hybrid 2PI-Pad\\'e method.

  8. Nonequilibrium fluctuation-dissipation relations for one- and two-particle correlation functions in steady-state quantum transport

    SciTech Connect (OSTI)

    Ness, H., E-mail: herve.ness@kcl.ac.uk [Department of Physics, School of Natural and Mathematical Sciences, King's College London, Strand, London WC2R 2LS (United Kingdom); Department of Physics, University of York, Heslington, York YO10 5DD (United Kingdom); European Theoretical Spectroscopy Facility (ETSF), Liege (Belgium); Dash, L. K. [European Theoretical Spectroscopy Facility (ETSF), Liege (Belgium) [European Theoretical Spectroscopy Facility (ETSF), Liege (Belgium); Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)

    2014-04-14T23:59:59.000Z

    We study the non-equilibrium (NE) fluctuation-dissipation (FD) relations in the context of quantum thermoelectric transport through a two-terminal nanodevice in the steady-state. The FD relations for the one- and two-particle correlation functions are derived for a model of the central region consisting of a single electron level. Explicit expressions for the FD relations of the Green's functions (one-particle correlations) are provided. The FD relations for the current-current and charge-charge (two-particle) correlations are calculated numerically. We use self-consistent NE Green's functions calculations to treat the system in the absence and in the presence of interaction (electron-phonon) in the central region. We show that, for this model, there is no single universal FD theorem for the NE steady state. There are different FD relations for each different class of problems. We find that the FD relations for the one-particle correlation function are strongly dependent on both the NE conditions and the interactions, while the FD relations of the current-current correlation function are much less dependent on the interaction. The latter property suggests interesting applications for single-molecule and other nanoscale transport experiments.

  9. Kibble-Zurek mechanism in colloidal monolayers

    E-Print Network [OSTI]

    Sven Deutschländer; Patrick Dillmann; Georg Maret; Peter Keim

    2015-03-30T23:59:59.000Z

    The Kibble-Zurek mechanism describes the evolution of topological defect structures like domain walls, strings, and monopoles when a system is driven through a second order phase transition. The model is used on very different scales like the Higgs field in the early universe or quantum fluids in condensed matter systems. A defect structure naturally arises during cooling if separated regions are too far apart to `communicate' (e.g. about their orientation or phase) due to finite signal velocity. This results in separated domains with different (degenerated) locally broken symmetry. Within this picture we investigate the non-equilibrium dynamics in a condensed matter analogue, a two-dimensional ensemble of colloidal particles. In equilibrium it obeys the so called Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) melting scenario with continuous (second-order like) phase transitions. The ensemble is exposed to a set of finite cooling rates covering roughly three orders of magnitude. Along this process, we analyze the defect and domain structure quantitatively via video microscopy and determine the scaling of the corresponding length scales as a function of the cooling rate. We indeed observe the scaling predicted by the Kibble-Zurek mechanism for the KTHNY universality class.

  10. Hyperfine spin qubits in irradiated malonic acid: heat-bath algorithmic cooling

    E-Print Network [OSTI]

    Daniel K. Park; Guanru Feng; Robabeh Rahimi; Stephane Labruyere; Taiki Shibata; Shigeaki Nakazawa; Kazunobu Sato; Takeji Takui; Raymond Laflamme; Jonathan Baugh

    2015-05-13T23:59:59.000Z

    The ability to perform quantum error correction is a significant hurdle for scalable quantum information processing. A key requirement for multiple-round quantum error correction is the ability to dynamically extract entropy from ancilla qubits. Heat-bath algorithmic cooling is a method that uses quantum logic operations to move entropy from one subsystem to another, and permits cooling of a spin qubit below the closed system (Shannon) bound. Gamma-irradiated, $^{13}$C-labeled malonic acid provides up to 5 spin qubits: 1 spin-half electron and 4 spin-half nuclei. The nuclei are strongly hyperfine coupled to the electron and can be controlled either by exploiting the anisotropic part of the hyperfine interaction or by using pulsed electron-nuclear double resonance (ENDOR) techniques. The electron connects the nuclei to a heat-bath with a much colder effective temperature determined by the electron's thermal spin polarization. By accurately determining the full spin Hamiltonian and performing realistic algorithmic simulations, we show that an experimental demonstration of heat-bath algorithmic cooling beyond the Shannon bound is feasible in both 3-qubit and 5-qubit variants of this spin system. Similar techniques could be useful for polarizing nuclei in molecular or crystalline systems that allow for non-equilibrium optical polarization of the electron spin.

  11. The Influence of Neutron Irradiation in FFTF on the Microstructural and Microchemical Development of Mo-41Re at 470-730ºC

    SciTech Connect (OSTI)

    Edwards, Danny J.; Garner, Francis A.; Gelles, David S.

    2008-04-30T23:59:59.000Z

    Specimens of Mo-41 wt% Re irradiated in the Fast Flux Test Facility (FFTF) experience significant and non-monotonic changes in density that arise first from radiation-induced segregation, leading to non-equilibrium phase separation, and second by progressive transmutation of Re to Os. As a consequence the density of Mo-41Re initially decreases and then increases thereafter. Beginning as a single-phase solid solution of Re and Mo, irradiation of Mo-41 wt% Re over a range of temperatures (470-730ºC) to 28-96 dpa produces a high density of thin platelets of a hexagonal close-packed phase identified as a solid solution of Re, Os and possibly a small amount of Mo. These hcp precipitates are thought to form in the alloy matrix as a consequence of strong radiation-induced segregation to Frank loops. Grain boundaries also segregate Re to form the hcp phase, but the precipitates are much bigger and more equiaxed in shape. Although not formed at lower dose, continued irradiation at 730º C leads to the co-formation of late-forming Chi–phase, an equilibrium phase that then competes with the preexisting hcp phase for rhenium.

  12. Estimation of the shear viscosity at finite net-baryon density from A+A collision data at $\\sqrt{s_\\mathrm{NN}} = 7.7-200$ GeV

    E-Print Network [OSTI]

    Iu. A. Karpenko; P. Huovinen; H. Petersen; M. Bleicher

    2015-02-06T23:59:59.000Z

    Hybrid approaches based on relativistic hydrodynamics and transport theory have been successfully applied for many years for the dynamical description of heavy ion collisions at ultrarelativistic energies. In this work a new viscous hybrid model employing the hadron transport approach UrQMD for the early and late non-equilibrium stages of the reaction, and 3+1 dimensional viscous hydrodynamics for the hot and dense quark-gluon plasma stage is introduced. This approach includes the equation of motion for finite baryon number, and employs an equation of state with finite net-baryon density to allow for calculations in a large range of beam energies. The parameter space of the model is explored, and constrained by comparison with the experimental data for bulk observables from SPS and the phase I beam energy scan at RHIC. The favored parameter values depend on energy, but allow to extract the effective value of the shear viscosity coefficient over entropy density ratio $\\eta/s$ in the fluid phase for the whole energy region under investigation. The estimated value of $\\eta/s$ increases with decreasing collision energy, which may indicate that $\\eta/s$ of the quark-gluon plasma depends on baryochemical potential $\\mu_B$.

  13. Microstructural Aspects of Irradiation Damage in A508 Gr 4N Forging Steel: Composition and Flux Effects

    SciTech Connect (OSTI)

    M.G. Burke; R.J. Stofanak; J.M. Hyde; C.A. English; W.L. Server

    2002-10-09T23:59:59.000Z

    Neutron irradiation can promote significant changes in the microstructure and associated mechanical properties of low alloy steels. In particular, irradiation can induce the formation of non-equilibrium phases and segregation, which may lead to a degradation in toughness. In this study, the microstructural changes caused by neutron irradiation have been characterized in A508 Grade (Gr) 4N-type steels ({approx}3.5% Ni) using a variety of state-of-the-art analytical techniques including 3D-Atom Probe Field-Ion Microscopy and Small Angle Neutron Scattering, along with post-irradiation annealing studies combining Positron Annihilation Lineshape Analysis and hardness measurements. Important differences between conventional and ''superclean'' A508 Gr 4N steel have been identified in this investigation. The data indicate that Ni is not the controlling factor in the irradiation damage behavior of these materials; rather, the Mn content of the steel is a dominant factor in the irradiation-induced microstructural development of solute-related hardening features.

  14. CRYSTALLIZATION IN HIGH-LEVEL WASTE GLASSES U.S. DEPARTMENT OF ENERGY OFFICE OF RIVER PROTECTION WTP ENGINEERING DIVISION

    SciTech Connect (OSTI)

    KRUGER AA; HRMA PR

    2009-08-19T23:59:59.000Z

    Various circumstances influence crystallization in glassmaking, for example: (1) crystals nucleate and grow before the glass-forming melt occurs; (2) crystals grow or dissolve in flowing melt and during changing temperature; (3) crystals move under the influence of gravity; (4) crystals agglomerate and interact with gas bubbles; (5) high-level wastes (HLW) are mixtures of a large number of components in unusual proportions; (6) melter processing of HLW and the slow cooling of HLW glass in canisters provides an opportunity for a variety of crystalline forms to precipitate; (7) settling of crystals in a HLW glass melter may produce undesirable sludge at the melter bottom; and (8) crystallization of the glass product may increase, but also ruin chemical durability. The conclusions are: (1) crystal growth and dissolution typically proceed in a convective medium at changing temperature; (2) to represent crystallization or dissolution the kinetics must be expressed in the form of rate equations, such as dC/dt = f(C,T) and the temperature dependence of kinetic coefficients and equilibrium concentrations must be accounted for; and (3) non-equilibrium phenomena commonly occur - metastable crystallization, periodic distribution of crystals; and dendritic crystal growth.

  15. Halo Formation in Warm Dark Matter Models

    E-Print Network [OSTI]

    Paul Bode; Jeremiah P. Ostriker; Neil Turok

    2001-05-29T23:59:59.000Z

    Discrepancies have emerged between the predictions of standard cold dark matter (CDM) theory and observations of clustering on sub-galactic scales. Warm dark matter (WDM) is a simple modification of CDM in which the dark matter particles have initial velocities due either to their having decoupled as thermal relics, or having been formed via non-equilibrium decay. We investigate the nonlinear gravitational clustering of WDM with a high resolution N-body code, and identify a number of distinctive observational signatures. Relative to CDM, halo concentrations and core densities are lowered, core radii are increased, and large halos emerge with far fewer low mass satellites. The number of small halos is suppressed, and those present are formed by `top down' fragmentation of caustics, as part of a `cosmic web' connecting massive halos. Few small halos form outside this web. If we identify small halos with dwarf galaxies, their number, spatial distribution, and formation epoch appear in better agreement with the observations for WDM than they are for CDM.

  16. Real-Time Transport in Open Quantum Systems From $\\mathcal{PT}$-Symmetric Quantum Mechanics

    E-Print Network [OSTI]

    Justin E. Elenewski; Hanning Chen

    2014-08-07T23:59:59.000Z

    Nanoscale electronic transport is of intense technological interest, with applications ranging from semiconducting devices and molecular junctions to charge migration in biological systems. Most explicit theoretical approaches treat transport using a combination of density functional theory (DFT) and non-equilibrium Green's functions. This is a static formalism, with dynamic response properties accommodated only through complicated extensions. To circumvent this limitation, the carrier density may be propagated using real-time time-dependent DFT (RT-TDDFT), with boundary conditions corresponding to an open quantum system. Complex absorbing potentials can emulate outgoing particles at the simulation boundary, although these do not account for introduction of charge density. It is demonstrated that the desired positive particle flux is afforded by a class of $\\mathcal{PT}$-symmetric generating potentials that are characterized by anisotropic transmission resonances. These potentials add density every time a particle traverses the cell boundary, and may be used to engineer a continuous pulse train for incident packets. This is a first step toward developing a complete transport formalism unique to RT-TDDFT.

  17. Enhanced power factor of higher manganese silicide via melt spin synthesis method

    SciTech Connect (OSTI)

    Shi, Xiaoya [Brookhaven National Lab. (BNL), Upton, NY (United States); Shi, Xun [Chinese Academy of Sciences, Shanghai (China); Li, Yulong [Chinese Academy of Sciences, Shanghai (China); He, Ying [Chinese Academy of Sciences, Shanghai (China); Chen, Lidong [Chinese Academy of Sciences, Shanghai (China); Li, Qiang [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-12-28T23:59:59.000Z

    We report on the thermoelectric properties of the Higher Manganese Silicide MnSi?.?? (HMS) synthesized by means of a one-step non-equilibrium method. The ultrahigh cooling rate generated from the melt-spin technique is found to be effective in reducing second phases, which are inevitable during the traditional solid state diffusion processes. Aside from being detrimental to thermoelectric properties, second phases skew the revealing of the intrinsic properties of this class of materials, for example the optimal level of carrier concentration. With this melt-spin sample, we are able to formulate a simple model based on a single parabolic band that can well describe the carrier concentration dependence of the Seebeck coefficient and power factor of the data reported in the literature. An optimal carrier concentration around 5x10²? cm?³ at 300 K is predicted according to this model. The phase-pure melt-spin sample shows the largest power factor at high temperature, resulting in the highest zT value among the three samples in this paper. And the maximum value is superior to those reported in the literatures.

  18. Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes

    SciTech Connect (OSTI)

    Wu, Kunlin; Bai, Meilin; Hou, Shimin, E-mail: smhou@pku.edu.cn [Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing 100871 (China); Sanvito, Stefano [School of Physics, AMBER and CRANN Institute, Trinity College, Dublin 2 (Ireland)

    2014-07-07T23:59:59.000Z

    The transition voltage of vacuum-spaced and molecular junctions constructed with Ag and Pt electrodes is investigated by non-equilibrium Green's function formalism combined with density functional theory. Our calculations show that, similarly to the case of Au-vacuum-Au previously studied, the transition voltages of Ag and Pt metal-vacuum-metal junctions with atomic protrusions on the electrode surface are determined by the local density of states of the p-type atomic orbitals of the protrusion. Since the energy position of the Pt 6p atomic orbitals is higher than that of the 5p/6p of Ag and Au, the transition voltage of Pt-vacuum-Pt junctions is larger than that of both Ag-vacuum-Ag and Au-vacuum-Au junctions. When one moves to analyzing asymmetric molecular junctions constructed with biphenyl thiol as central molecule, then the transition voltage is found to depend on the specific bonding site for the sulfur atom in the thiol group. In particular agreement with experiments, where the largest transition voltage is found for Ag and the smallest for Pt, is obtained when one assumes S binding at the hollow-bridge site on the Ag/Au(111) surface and at the adatom site on the Pt(111) one. This demonstrates the critical role played by the linker-electrode binding geometry in determining the transition voltage of devices made of conjugated thiol molecules.

  19. Synchronization in Complex Oscillator Networks and Smart Grids

    SciTech Connect (OSTI)

    Dorfler, Florian [Los Alamos National Laboratory; Chertkov, Michael [Los Alamos National Laboratory; Bullo, Francesco [Center for Control, Dynamical Systems and Computation, University of California at Santa Babara, Santa Barbara CA

    2012-07-24T23:59:59.000Z

    The emergence of synchronization in a network of coupled oscillators is a fascinating topic in various scientific disciplines. A coupled oscillator network is characterized by a population of heterogeneous oscillators and a graph describing the interaction among them. It is known that a strongly coupled and sufficiently homogeneous network synchronizes, but the exact threshold from incoherence to synchrony is unknown. Here we present a novel, concise, and closed-form condition for synchronization of the fully nonlinear, non-equilibrium, and dynamic network. Our synchronization condition can be stated elegantly in terms of the network topology and parameters, or equivalently in terms of an intuitive, linear, and static auxiliary system. Our results significantly improve upon the existing conditions advocated thus far, they are provably exact for various interesting network topologies and parameters, they are statistically correct for almost all networks, and they can be applied equally to synchronization phenomena arising in physics and biology as well as in engineered oscillator networks such as electric power networks. We illustrate the validity, the accuracy, and the practical applicability of our results in complex networks scenarios and in smart grid applications.

  20. Estimation of the shear viscosity at finite net-baryon density from A+A collision data at $\\sqrt{s_\\mathrm{NN}} = 7.7-200$ GeV

    E-Print Network [OSTI]

    Karpenko, Iu A; Petersen, H; Bleicher, M

    2015-01-01T23:59:59.000Z

    Hybrid approaches based on relativistic hydrodynamics and transport theory have been successfully applied for many years for the dynamical description of heavy ion collisions at ultrarelativistic energies. In this work a new viscous hybrid model employing the hadron transport approach UrQMD for the early and late non-equilibrium stages of the reaction, and 3+1 dimensional viscous hydrodynamics for the hot and dense quark-gluon plasma stage is introduced. This approach includes the equation of motion for finite baryon number, and employs an equation of state with finite net-baryon density to allow for calculations in a large range of beam energies. The parameter space of the model is explored, and constrained by comparison with the experimental data for bulk observables from SPS and the phase I beam energy scan at RHIC. The favored parameter values depend on energy, but allow to extract the effective value of the shear viscosity coefficient over entropy density ratio $\\eta/s$ in the fluid phase for the whole e...