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Sample records for nonequilibrium quantum statistical

  1. Nonequilibrium statistical mechanics of mixed quantum classical ensembles: application to noncontact atomic force microscopy.

    PubMed

    Kantorovich, L N

    2002-08-26

    Using the nonequilibrium statistical operator method, we suggest a new general method of treating dynamics of a combined system consisting of interacting classical and quantum parts. The method is illustrated on the tip dynamics in the noncontact atomic force microscopy (NC-AFM) where a macroscopic tip interacts with a quantum microscopic system (the surface and the nanotip). The derived general equation of motion for the tip and the Fokker-Planck equation, applicable even at low temperatures, contain memory effects and a friction term which should (at least partially) be responsible for the observed energy dissipation in NC-AFM experiments.

  2. Unifying quantum heat transfer in a nonequilibrium spin-boson model with full counting statistics

    NASA Astrophysics Data System (ADS)

    Wang, Chen; Ren, Jie; Cao, Jianshu

    2017-02-01

    To study the full counting statistics of quantum heat transfer in a driven nonequilibrium spin-boson model, we develop a generalized nonequilibrium polaron-transformed Redfield equation with an auxiliary counting field. This enables us to study the impact of qubit-bath coupling ranging from weak to strong regimes. Without external modulations, we observe maximal values of both steady-state heat flux and noise power in moderate coupling regimes, below which we find that these two transport quantities are enhanced by the finite-qubit-energy bias. With external modulations, the geometric-phase-induced heat flux shows a monotonic decrease upon increasing the qubit-bath coupling at zero qubit energy bias (without bias). While under the finite-qubit-energy bias (with bias), the geometric-phase-induced heat flux exhibits an interesting reversal behavior in the strong coupling regime. Our results unify the seemingly contradictory results in weak and strong qubit-bath coupling regimes and provide detailed dissections for the quantum fluctuation of nonequilibrium heat transfer.

  3. Nonequilibrium density matrix for quantum transport: Hershfield approach as a McLennan-Zubarev form of the statistical operator.

    PubMed

    Ness, H

    2013-08-01

    In this paper, we formally demonstrate that the nonequilibrium density matrix developed by Hershfield for the steady state has the form of a McLennan-Zubarev nonequilibrium ensemble. The correction term in this pseudoequilibrium Gibbs-like ensemble is directly related to the entropy production in the quantum open system. The fact that both methods state that a nonequilibrium steady state can be mapped onto a pseudoequilibrium, permits us to develop nonequilibrium quantities from formal expressions equivalent to the equilibrium case. We provide an example: the derivation of a nonequilibrium distribution function for the electron population in a scattering region in the context of quantum transport.

  4. Nonequilibrium quantum fluctuations of work.

    PubMed

    Allahverdyan, A E

    2014-09-01

    The concept of work is basic for statistical thermodynamics. To gain a fuller understanding of work and its (quantum) features, it needs to be represented as an average of a fluctuating quantity. Here I focus on the work done between two moments of time for a thermally isolated quantum system driven by a time-dependent Hamiltonian. I formulate two natural conditions needed for the fluctuating work to be physically meaningful for a system that starts its evolution from a nonequilibrium state. The existing definitions do not satisfy these conditions due to issues that are traced back to noncommutativity. I propose a definition of fluctuating work that is free of previous drawbacks and that applies for a wide class of nonequilibrium initial states. It allows the deduction of a generalized work-fluctuation theorem that applies for an arbitrary (out-of-equilibrium) initial state.

  5. Landscape, kinetics, paths and statistics of curl flux, coherence, entanglement and energy transfer in non-equilibrium quantum systems

    NASA Astrophysics Data System (ADS)

    Zhang, Zhedong; Wang, Jin

    2015-04-01

    We develop a population and flux landscape theory for general non-equilibrium quantum systems. We illustrate our theory by modelling the quantum transport of donor-acceptor energy transfer. We find two driving forces for the non-equilibrium quantum dynamics. The symmetric part of the driving force corresponds to the population landscape contribution which mainly governs the equilibrium part of dynamics while the anti-symmetric part of the driving force generates the non-equilibrium curl quantum flux which leads to the detailed-balance-breaking and time-irreversibility. The multi-loop structure of the flux emerges forms the flux-landscape. We study the trend of changes in population and flux-landscape with respect to the voltage (temperature difference induced by environments) and electronic coupling. Improving the voltage and electronic coupling in general facilitates the quantum transport by reducing the population landscape barriers between major states and increasing the mean value of the flux. A limit-cycle mode emerges when the underlying flux-landscape becomes funnelled with a significant gap between the largest flux loop and the rest of them. On the kinetic level, we find that multiple kinetic paths between quantum states emerge and illustrate the interference effects. The degree of interference is determined by the landscape and flux. Furthermore, we quantify kinetic rate which strongly correlates with the population landscape and flux. For quantum transport, we demonstrate that as the coherence or the quantum entanglement is enhanced, the flux and energy transfer efficiency are increased. Finally it is surprising that the non-equilibriumness quantified by voltage has a non-trivial contribution on strengthening the entanglement, which is attributed to the non-local feature of the quantum curl flux.

  6. Random paths and current fluctuations in nonequilibrium statistical mechanics

    SciTech Connect

    Gaspard, Pierre

    2014-07-15

    An overview is given of recent advances in nonequilibrium statistical mechanics about the statistics of random paths and current fluctuations. Although statistics is carried out in space for equilibrium statistical mechanics, statistics is considered in time or spacetime for nonequilibrium systems. In this approach, relationships have been established between nonequilibrium properties such as the transport coefficients, the thermodynamic entropy production, or the affinities, and quantities characterizing the microscopic Hamiltonian dynamics and the chaos or fluctuations it may generate. This overview presents results for classical systems in the escape-rate formalism, stochastic processes, and open quantum systems.

  7. Nonequilibrium statistical mechanics of drifting particles

    PubMed

    Bringuier

    2000-06-01

    This paper describes a method for obtaining nonequilibrium one-particle energy distributions of fermions or bosons. For the program to be carried out, particle transport should occur in the drifting mode in which the average velocity is much lower than the instantaneous velocity. Under this condition, the spectral current density has a drift-diffusion structure involving a mobility-diffusion relationship unrelated to statistics. When a local-equilibrium energy distribution is used, the linear response theory is recovered. Next, the particle-medium energy exchange is treated within a Fokker-Planck framework in order to obtain the nonequilibrium energy distribution; a nonlinear framework is used to account for the quantum-statistical correlations. Explicit formulas are obtained for homogeneous distributions at steady state. The rate of change of entropy is a simple generalization of the second law of thermodynamics. The positivity of the total entropy production stems from the positive definiteness of the diffusion tensors. Minimal entropy production is not necessarily achieved in the stationary state.

  8. Nonequilibrium functional bosonization of quantum wire networks

    SciTech Connect

    Ngo Dinh, Stephane; Bagrets, Dmitry A.; Mirlin, Alexander D.

    2012-11-15

    We develop a general approach to nonequilibrium nanostructures formed by one-dimensional channels coupled by tunnel junctions and/or by impurity scattering. The formalism is based on nonequilibrium version of functional bosonization. A central role in this approach is played by the Keldysh action that has a form reminiscent of the theory of full counting statistics. To proceed with evaluation of physical observables, we assume the weak-tunneling regime and develop a real-time instanton method. A detailed exposition of the formalism is supplemented by two important applications: (i) tunneling into a biased Luttinger liquid with an impurity, and (ii) quantum Hall Fabry-Perot interferometry. - Highlights: Black-Right-Pointing-Pointer A nonequilibrium functional bosonization framework for quantum wire networks is developed Black-Right-Pointing-Pointer For the study of observables in the weak tunneling regime a real-time instanton method is elaborated. Black-Right-Pointing-Pointer We consider tunneling into a biased Luttinger liquid with an impurity. Black-Right-Pointing-Pointer We analyze electronic Fabry-Perot interferometers in the integer quantum Hall regime.

  9. Langevin description of nonequilibrium quantum fields

    NASA Astrophysics Data System (ADS)

    Gautier, F.; Serreau, J.

    2012-12-01

    We consider the nonequilibrium dynamics of a real quantum scalar field. We show the formal equivalence of the exact evolution equations for the statistical and spectral two-point functions with a fictitious Langevin process and examine the conditions under which a local Markovian dynamics is a valid approximation. In quantum field theory, the memory kernel and the noise correlator typically exhibit long time power laws and are thus highly nonlocal, thereby questioning the possibility of a local description. We show that despite this fact, there is a finite time range during which a local description is accurate. This requires the theory to be (effectively) weakly coupled. We illustrate the use of such a local description for studies of decoherence and entropy production in quantum field theory.

  10. Nonequilibrium conductivity at quantum critical points

    NASA Astrophysics Data System (ADS)

    Berridge, A. M.; Green, A. G.

    2013-12-01

    Quantum criticality provides an important route to revealing universal nonequilibrium behavior. A canonical example of a critical point is the Bose-Hubbard model, which we study under the application of an electric field. A Boltzmann transport formalism and ɛ expansion are used to obtain the nonequilibrium conductivity and current noise. This approach allows us to explicitly identify how a universal nonequilibrium steady state is maintained, by identifying the rate-limiting step in balancing Joule heating and dissipation to a heat bath. It also reveals that the nonequilibrium distribution function is very far from a thermal distribution.

  11. Quantum thermodynamics: a nonequilibrium Green's function approach.

    PubMed

    Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael

    2015-02-27

    We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green's functions. The energy of the system and its coupling to the reservoirs are controlled by a slow external time-dependent force treated to first order beyond the quasistatic limit. We derive the four basic laws of thermodynamics and characterize reversible transformations. Stochastic thermodynamics is recovered in the weak coupling limit.

  12. Nonequilibrium Quantum Systems: Fluctuations and Interactions

    NASA Astrophysics Data System (ADS)

    Subasi, Yigit

    We explore some aspects of nonequilibrium statistical mechanics of classical and quantum systems. Two chapters are devoted to fluctuation theorems which were originally derived for classical systems. The main challenge in formulating them in quantum mechanics is the fact that fundamental quantities of interest, like work, are defined via the classical concept of a phase space trajectory. We utilize the decoherent histories conceptual framework, in which classical trajectories emerge in quantum mechanics as a result of coarse graining, and provide a first-principles analysis of the nonequilibrium work relation of Jarzynski and Crooks's fluctuation theorem for a quantum system interacting with a general environment based on the quantum Brownian motion (QBM) model. We indicate a parameter range at low temperatures where the theorems might fail in their original form. Fluctuation theorems of Jarzynski and Crooks for systems obeying classical Hamiltonian dynamics are derived under the assumption that the initial conditions are sampled from a canonical ensemble, even though the equilibrium state of an isolated system is typically associated with the microcanonical ensemble. We address this issue through an exact analysis of the classical Brownian motion model. We argue that a stronger form of ensemble equivalence than usually discussed in equilibrium statistical mechanics is required for these theorems to hold in the infinite environment limit irrespective of the ensemble used, and proceed to prove it for this model. An exact expression for the probability distribution of work is obtained for finite environments. Intuitively one expects a system to relax to an equilibrium state when brought into contact with a thermal environment. Yet it is important to have rigorous results that provide conditions for equilibration and characterize the equilibrium state. We consider the dynamics of open quantum systems using the Langevin and master equations and rigorously show that

  13. Nonequilibrium statistical physics with fictitious time.

    PubMed

    Samanta, Himadri S; Bhattacharjee, J K

    2006-04-01

    Problems in nonequilibrium statistical physics are characterized by the absence of a fluctuation dissipation theorem. The usual analytic route for treating these vast class of problems is to use response fields in addition to the real fields that are pertinent to a given problem. This line of argument was introduced by Martin, Siggia, and Rose. We show that instead of using the response field, one can, following the stochastic quantization of Parisi and Wu, introduce a fictitious time. In this extra dimension a fluctuation dissipation theorem is built in and provides a different outlook to problems in nonequilibrium statistical physics.

  14. Nonequilibrium quantum transport coefficients and transient dynamics of full counting statistics in the strong-coupling and non-Markovian regimes

    NASA Astrophysics Data System (ADS)

    Cerrillo, Javier; Buser, Maximilian; Brandes, Tobias

    2016-12-01

    Nonequilibrium transport properties of quantum systems have recently become experimentally accessible in a number of platforms in so-called full-counting experiments that measure transient and steady-state nonequilibrium transport dynamics. We show that the effect of the measurement back-action can be exploited to establish general relationships between transport coefficients in the transient regime which take the form of fluctuation-dissipation theorems in the steady state. This result becomes most conspicuous in the transient dynamics of open quantum systems under strong-coupling to non-Markovian environments in nonequilibrium settings. In order to explore this regime, a new simulation method based in a hierarchy of equations of motion has been developed. We instantiate our proposal with the study of energetic conductance between two baths connected via a few level system.

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

    NASA Technical Reports Server (NTRS)

    Yeh, Leehwa

    1993-01-01

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

  16. Quantum Langevin model for nonequilibrium condensation

    NASA Astrophysics Data System (ADS)

    Chiocchetta, Alessio; Carusotto, Iacopo

    2014-08-01

    We develop a quantum model for nonequilibrium Bose-Einstein condensation of photons and polaritons in planar microcavity devices. The model builds on laser theory and includes the spatial dynamics of the cavity field, a saturation mechanism, and some frequency dependence of the gain: quantum Langevin equations are written for a cavity field coupled to a continuous distribution of externally pumped two-level emitters with a well-defined frequency. As an example of application, the method is used to study the linearized quantum fluctuations around a steady-state condensed state. In the good-cavity regime, an effective equation for the cavity field only is proposed in terms of a stochastic Gross-Pitaevskii equation. Perspectives in view of a full quantum simulation of the nonequilibrium condensation process are finally sketched.

  17. Nonequilibrium transient dynamics of photon statistics

    NASA Astrophysics Data System (ADS)

    Ali, Md. Manirul; Zhang, Wei-Min

    2017-03-01

    We investigate the transient dynamics of photon statistics through two-time correlation functions for optical field coupled to a non-Markovian environment, described by the Fano-type Hamiltonian. We exactly solve the time-evolution of an initially nonclassical state which exhibits photon antibunching. We find that the transient correlations at different times t yield a smooth transition from antibunching to bunching photon statistics in the weak system-environment coupling regime. In the strong-coupling regime, the two-time correlations exhibit oscillations that persists both in the transient process and in the steady-state limit. The oscillatory behavior of photon statistics is a manifestation of strong non-Markovian memory dynamics where the system remains in nonequilibrium from its environment. We also find that the antibunching-to-bunching transition in the weak-coupling regime and the photon statistical oscillations in the strong-coupling regime are strongly influenced by the environment temperature.

  18. Nonequilibrium functional renormalization group for interacting quantum systems.

    PubMed

    Jakobs, Severin G; Meden, Volker; Schoeller, Herbert

    2007-10-12

    We propose a nonequilibrium version of functional renormalization within the Keldysh formalism by introducing a complex-valued flow parameter in the Fermi or Bose functions of each reservoir. Our cutoff scheme provides a unified approach to equilibrium and nonequilibrium situations. We apply it to nonequilibrium transport through an interacting quantum wire coupled to two reservoirs and show that the nonequilibrium occupation induces new power law exponents for the conductance.

  19. Nonequilibrium quantum dynamics and transport: from integrability to many-body localization

    NASA Astrophysics Data System (ADS)

    Vasseur, Romain; Moore, Joel E.

    2016-06-01

    We review the non-equilibrium dynamics of many-body quantum systems after a quantum quench with spatial inhomogeneities, either in the Hamiltonian or in the initial state. We focus on integrable and many-body localized systems that fail to self-thermalize in isolation and for which the standard hydrodynamical picture breaks down. The emphasis is on universal dynamics, non-equilibrium steady states and new dynamical phases of matter, and on phase transitions far from thermal equilibrium. We describe how the infinite number of conservation laws of integrable and many-body localized systems lead to complex non-equilibrium states beyond the traditional dogma of statistical mechanics.

  20. Methods for modeling non-equilibrium degenerate statistics and quantum-confined scattering in 3D ensemble Monte Carlo transport simulations

    NASA Astrophysics Data System (ADS)

    Crum, Dax M.; Valsaraj, Amithraj; David, John K.; Register, Leonard F.; Banerjee, Sanjay K.

    2016-12-01

    Particle-based ensemble semi-classical Monte Carlo (MC) methods employ quantum corrections (QCs) to address quantum confinement and degenerate carrier populations to model tomorrow's ultra-scaled metal-oxide-semiconductor-field-effect-transistors. Here, we present the most complete treatment of quantum confinement and carrier degeneracy effects in a three-dimensional (3D) MC device simulator to date, and illustrate their significance through simulation of n-channel Si and III-V FinFETs. Original contributions include our treatment of far-from-equilibrium degenerate statistics and QC-based modeling of surface-roughness scattering, as well as considering quantum-confined phonon and ionized-impurity scattering in 3D. Typical MC simulations approximate degenerate carrier populations as Fermi distributions to model the Pauli-blocking (PB) of scattering to occupied final states. To allow for increasingly far-from-equilibrium non-Fermi carrier distributions in ultra-scaled and III-V devices, we instead generate the final-state occupation probabilities used for PB by sampling the local carrier populations as function of energy and energy valley. This process is aided by the use of fractional carriers or sub-carriers, which minimizes classical carrier-carrier scattering intrinsically incompatible with degenerate statistics. Quantum-confinement effects are addressed through quantum-correction potentials (QCPs) generated from coupled Schrödinger-Poisson solvers, as commonly done. However, we use these valley- and orientation-dependent QCPs not just to redistribute carriers in real space, or even among energy valleys, but also to calculate confinement-dependent phonon, ionized-impurity, and surface-roughness scattering rates. FinFET simulations are used to illustrate the contributions of each of these QCs. Collectively, these quantum effects can substantially reduce and even eliminate otherwise expected benefits of considered In0.53Ga0.47 As FinFETs over otherwise identical

  1. Rigorous results of nonequilibrium statistical physics and their experimental verification

    NASA Astrophysics Data System (ADS)

    Pitaevskii, Lev P.

    2011-06-01

    Rigorous relations of nonequilibrium statistical physics are discussed. An arbitrary system brought into a strongly nonequilibrium state by an external time-dependent impact is considered. Based on the Hamiltonian formalism of classical mechanics, the Bochkov-Kuzovlev equality, the Jarzynski equality, and Crooks reversal relations valid for fluctuations in the work done on a system are derived. Verification of these equalities in mechanical experiments with a torsion pendulum and biological objects (folded ribonucleic acids) is described.

  2. Nonequilibrium quantum phase transitions in the Dicke model.

    PubMed

    Bastidas, V M; Emary, C; Regler, B; Brandes, T

    2012-01-27

    We establish a set of nonequilibrium quantum phase transitions in the Dicke model by considering a monochromatic nonadiabatic modulation of the atom-field coupling. For weak driving the system exhibits a set of sidebands which allow the circumvention of the no-go theorem which otherwise forbids the occurrence of superradiant phase transitions. At strong driving we show that the system exhibits a rich multistable structure and exhibits both first- and second-order nonequilibrium quantum phase transitions.

  3. Quantum-classical correspondence principles for locally nonequilibrium driven systems.

    PubMed

    Smith, Eric

    2008-02-01

    Many of the core concepts and (especially field-theoretic) tools of statistical mechanics have developed within the context of thermodynamic equilibrium, where state variables are all taken to be charges, meaning that their values are inherently preserved under reversal of the direction of time. A principle concern of nonequilibrium statistical mechanics is to understand the emergence and stability of currents, quantities whose values change sign under time reversal. Whereas the correspondence between classical charge-valued state variables and their underlying statistical or quantum ensembles is quite well understood, the study of currents away from equilibrium has been more fragmentary, with classical descriptions relying on the asymmetric auxiliary-field formalism of Martin, Siggia, and Rose (and often restricted to the Markovian assumption of Doi and Peliti), while quantum descriptions employ a symmetric two-field formalism introduced by Schwinger and further clarified by Keldysh. In this paper we demonstrate that for quantum ensembles in which superposition is not violated by very strong conditions of decoherence, there is a large natural generalization of the principles and tools of equilibrium, which not only admits but requires the introduction of current-valued state variables. For these systems, not only do Martin-Siggia-Rose (MSR) and Schwinger-Keldysh (SK) field methods both exist, in some cases they provide inequivalent classical and quantum descriptions of identical ensembles. With these systems for examples, we can both study the correspondence between classical and quantum descriptions of currents, and also clarify the nature of the mapping between the structurally homologous but interpretationally different MSR and SK formalisms.

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

    PubMed Central

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

    2016-01-01

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

  5. Measures of trajectory ensemble disparity in nonequilibrium statistical dynamics

    SciTech Connect

    Crooks, Gavin; Sivak, David

    2011-06-03

    Many interesting divergence measures between conjugate ensembles of nonequilibrium trajectories can be experimentally determined from the work distribution of the process. Herein, we review the statistical and physical significance of several of these measures, in particular the relative entropy (dissipation), Jeffreys divergence (hysteresis), Jensen-Shannon divergence (time-asymmetry), Chernoff divergence (work cumulant generating function), and Renyi divergence.

  6. Studies in Non-Equilibrium Statistical Mechanics.

    DTIC Science & Technology

    1982-09-01

    This approximation permits the Schrodinger equation to be replaced with a finite-difference master equation for the probabilities of oc- cupying the...approxmtion is valid at 3 specific time intervals. This results in the replacement of the Schrodinger equation by a master-type equation , which In further...the newly developed quantum action-angle variable formalism to reduce the Schrodinger equation for the three atom system to a minimum number of

  7. Nonequilibrium Statistical Mechanics in One Dimension

    NASA Astrophysics Data System (ADS)

    Privman, Vladimir

    2005-08-01

    Part I. Reaction-Diffusion Systems and Models of Catalysis; 1. Scaling theories of diffusion-controlled and ballistically-controlled bimolecular reactions S. Redner; 2. The coalescence process, A+A->A, and the method of interparticle distribution functions D. ben-Avraham; 3. Critical phenomena at absorbing states R. Dickman; Part II. Kinetic Ising Models; 4. Kinetic ising models with competing dynamics: mappings, correlations, steady states, and phase transitions Z. Racz; 5. Glauber dynamics of the ising model N. Ito; 6. 1D Kinetic ising models at low temperatures - critical dynamics, domain growth, and freezing S. Cornell; Part III. Ordering, Coagulation, Phase Separation; 7. Phase-ordering dynamics in one dimension A. J. Bray; 8. Phase separation, cluster growth, and reaction kinetics in models with synchronous dynamics V. Privman; 9. Stochastic models of aggregation with injection H. Takayasu and M. Takayasu; Part IV. Random Sequential Adsorption and Relaxation Processes; 10. Random and cooperative sequential adsorption: exactly solvable problems on 1D lattices, continuum limits, and 2D extensions J. W. Evans; 11. Lattice models of irreversible adsorption and diffusion P. Nielaba; 12. Deposition-evaporation dynamics: jamming, conservation laws and dynamical diversity M. Barma; Part V. Fluctuations In Particle and Surface Systems; 13. Microscopic models of macroscopic shocks S. A. Janowsky and J. L. Lebowitz; 14. The asymmetric exclusion model: exact results through a matrix approach B. Derrida and M. R. Evans; 15. Nonequilibrium surface dynamics with volume conservation J. Krug; 16. Directed walks models of polymers and wetting J. Yeomans; Part VI. Diffusion and Transport In One Dimension; 17. Some recent exact solutions of the Fokker-Planck equation H. L. Frisch; 18. Random walks, resonance, and ratchets C. R. Doering and T. C. Elston; 19. One-dimensional random walks in random environment K. Ziegler; Part VII. Experimental Results; 20. Diffusion

  8. Nonequilibrium Statistical Mechanics in One Dimension

    NASA Astrophysics Data System (ADS)

    Privman, Vladimir

    1997-02-01

    Part I. Reaction-Diffusion Systems and Models of Catalysis; 1. Scaling theories of diffusion-controlled and ballistically-controlled bimolecular reactions S. Redner; 2. The coalescence process, A+A->A, and the method of interparticle distribution functions D. ben-Avraham; 3. Critical phenomena at absorbing states R. Dickman; Part II. Kinetic Ising Models; 4. Kinetic ising models with competing dynamics: mappings, correlations, steady states, and phase transitions Z. Racz; 5. Glauber dynamics of the ising model N. Ito; 6. 1D Kinetic ising models at low temperatures - critical dynamics, domain growth, and freezing S. Cornell; Part III. Ordering, Coagulation, Phase Separation; 7. Phase-ordering dynamics in one dimension A. J. Bray; 8. Phase separation, cluster growth, and reaction kinetics in models with synchronous dynamics V. Privman; 9. Stochastic models of aggregation with injection H. Takayasu and M. Takayasu; Part IV. Random Sequential Adsorption and Relaxation Processes; 10. Random and cooperative sequential adsorption: exactly solvable problems on 1D lattices, continuum limits, and 2D extensions J. W. Evans; 11. Lattice models of irreversible adsorption and diffusion P. Nielaba; 12. Deposition-evaporation dynamics: jamming, conservation laws and dynamical diversity M. Barma; Part V. Fluctuations In Particle and Surface Systems; 13. Microscopic models of macroscopic shocks S. A. Janowsky and J. L. Lebowitz; 14. The asymmetric exclusion model: exact results through a matrix approach B. Derrida and M. R. Evans; 15. Nonequilibrium surface dynamics with volume conservation J. Krug; 16. Directed walks models of polymers and wetting J. Yeomans; Part VI. Diffusion and Transport In One Dimension; 17. Some recent exact solutions of the Fokker-Planck equation H. L. Frisch; 18. Random walks, resonance, and ratchets C. R. Doering and T. C. Elston; 19. One-dimensional random walks in random environment K. Ziegler; Part VII. Experimental Results; 20. Diffusion

  9. Nonequilibrium statistical mechanics of nanotube nucleation

    NASA Astrophysics Data System (ADS)

    Artyukhov, Vasilii I.; Yakobson, Boris I.

    A key problem that advanced carbon nanotube applications face is the difficulty of producing pure single-helicity samples. As the elementary processes of nanotube growth are difficult to observe in situ, theoretical understanding of the process is especially important. Direct molecular dynamics simulations offer limited insight due to computational intractability of space- and time-scales involved. We formulated a theory that explains a class of helicity-selective growth experiments, based on classical nucleation theory and crystal growth kinetics.1 However, a general theory of nanotube growth must also include fast irreversible growth beyond the classical near-equilibrium assumption. Here we construct a coarse-grained model allowing us to rigorously investigate the statistical mechanics of nanotube nucleation and trace how helicity emerges from the global nucleation trajectory ensemble. Importantly, our model can handle the whole range of conditions from perfect reversibility driven by energetics to perfect irreversibility driven by configurational entropy of nanotube caps and edges. Our theory generalizes earlier models in a large advance towards ultimate understanding of helicity-selective synthesis. 1 V.I. Artyukhov, E.S. Penev, and B.I. Yakobson, Nat. Commun. 5, 4892 (2014)

  10. [Statistics quantum satis].

    PubMed

    Pestana, Dinis

    2013-01-01

    Statistics is a privileged tool in building knowledge from information, since the purpose is to extract from a sample limited information conclusions to the whole population. The pervasive use of statistical software (that always provides an answer, the question being adequate or not), and the absence of statistics to confer a scientific flavour to so much bad science, has had a pernicious effect on some disbelief on statistical research. Would Lord Rutherford be alive today, it is almost certain that he would not condemn the use of statistics in research, as he did in the dawn of the 20th century. But he would indeed urge everyone to use statistics quantum satis, since to use bad data, too many data, and statistics to enquire on irrelevant questions, is a source of bad science, namely because with too many data we can establish statistical significance of irrelevant results. This is an important point that addicts of evidence based medicine should be aware of, since the meta analysis of two many data will inevitably establish senseless results.

  11. What can we learn from noise? - Mesoscopic nonequilibrium statistical physics.

    PubMed

    Kobayashi, Kensuke

    2016-01-01

    Mesoscopic systems - small electric circuits working in quantum regime - offer us a unique experimental stage to explorer quantum transport in a tunable and precise way. The purpose of this Review is to show how they can contribute to statistical physics. We introduce the significance of fluctuation, or equivalently noise, as noise measurement enables us to address the fundamental aspects of a physical system. The significance of the fluctuation theorem (FT) in statistical physics is noted. We explain what information can be deduced from the current noise measurement in mesoscopic systems. As an important application of the noise measurement to statistical physics, we describe our experimental work on the current and current noise in an electron interferometer, which is the first experimental test of FT in quantum regime. Our attempt will shed new light in the research field of mesoscopic quantum statistical physics.

  12. Turbulence as a Problem in Non-equilibrium Statistical Mechanics

    NASA Astrophysics Data System (ADS)

    Goldenfeld, Nigel; Shih, Hong-Yan

    2016-12-01

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

  13. Nonequilibrium critical scaling in quantum thermodynamics

    NASA Astrophysics Data System (ADS)

    Bayat, Abolfazl; Apollaro, Tony J. G.; Paganelli, Simone; De Chiara, Gabriele; Johannesson, Henrik; Bose, Sougato; Sodano, Pasquale

    2016-05-01

    The emerging field of quantum thermodynamics is contributing important results and insights into archetypal many-body problems, including quantum phase transitions. Still, the question whether out-of-equilibrium quantities, such as fluctuations of work, exhibit critical scaling after a sudden quench in a closed system has remained elusive. Here, we take a novel approach to the problem by studying a quench across an impurity quantum critical point. By performing density matrix renormalization group computations on the two-impurity Kondo model, we are able to establish that the irreversible work produced in a quench exhibits finite-size scaling at quantum criticality. This scaling faithfully predicts the equilibrium critical exponents for the crossover length and the order parameter of the model, and, moreover, implies an exponent for the rescaled irreversible work. By connecting the irreversible work to the two-impurity spin correlation function, our findings can be tested experimentally.

  14. Non-equilibrium quantum heat machines

    NASA Astrophysics Data System (ADS)

    Alicki, Robert; Gelbwaser-Klimovsky, David

    2015-11-01

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

  15. Approach to non-equilibrium behaviour in quantum field theory

    SciTech Connect

    Kripfganz, J.; Perlt, H.

    1989-05-01

    We study the real-time evolution of quantum field theoretic systems in non-equilibrium situations. Results are presented for the example of scalar /lambda//phi//sup 4/ theory. The degrees of freedom are discretized by studying the system on a torus. Short-wavelength modes are integrated out to one-loop order. The long-wavelength modes considered to be the relevant degrees of freedom are treated by semiclassical phase-space methods. /copyright/ 1989 Academic Press, Inc.

  16. Typical pure nonequilibrium steady states and irreversibility for quantum transport.

    PubMed

    Monnai, Takaaki; Yuasa, Kazuya

    2016-07-01

    It is known that each single typical pure state in an energy shell of a large isolated quantum system well represents a thermal equilibrium state of the system. We show that such typicality holds also for nonequilibrium steady states (NESS's). We consider a small quantum system coupled to multiple infinite reservoirs. In the long run, the total system reaches a unique NESS. We identify a large Hilbert space from which pure states of the system are to be sampled randomly and show that the typical pure states well describe the NESS. We also point out that the irreversible relaxation to the unique NESS is important to the typicality of the pure NESS's.

  17. Non-Markovian full counting statistics in quantum dot molecules

    PubMed Central

    Xue, Hai-Bin; Jiao, Hu-Jun; Liang, Jiu-Qing; Liu, Wu-Ming

    2015-01-01

    Full counting statistics of electron transport is a powerful diagnostic tool for probing the nature of quantum transport beyond what is obtainable from the average current or conductance measurement alone. In particular, the non-Markovian dynamics of quantum dot molecule plays an important role in the nonequilibrium electron tunneling processes. It is thus necessary to understand the non-Markovian full counting statistics in a quantum dot molecule. Here we study the non-Markovian full counting statistics in two typical quantum dot molecules, namely, serially coupled and side-coupled double quantum dots with high quantum coherence in a certain parameter regime. We demonstrate that the non-Markovian effect manifests itself through the quantum coherence of the quantum dot molecule system, and has a significant impact on the full counting statistics in the high quantum-coherent quantum dot molecule system, which depends on the coupling of the quantum dot molecule system with the source and drain electrodes. The results indicated that the influence of the non-Markovian effect on the full counting statistics of electron transport, which should be considered in a high quantum-coherent quantum dot molecule system, can provide a better understanding of electron transport through quantum dot molecules. PMID:25752245

  18. Nonequilibrium quantum fluctuation relations for harmonic systems in nonthermal environments

    NASA Astrophysics Data System (ADS)

    Pagel, D.; Nalbach, P.; Alvermann, A.; Fehske, H.; Thorwart, M.

    2013-10-01

    We formulate exact generalized nonequilibrium fluctuation relations for the quantum mechanical harmonic oscillator coupled to multiple harmonic baths. Each of the different baths is prepared in its own individual (in general nonthermal) state. Starting from the exact solution for the oscillator dynamics we study fluctuations of the oscillator position as well as of the energy current through the oscillator under general nonequilibrium conditions. In particular, we formulate a fluctuation-dissipation relation for the oscillator position autocorrelation function that generalizes the standard result for the case of a single bath at thermal equilibrium. Moreover, we show that the generating function for the position operator fulfils a generalized Gallavotti-Cohen-like relation. For the energy transfer through the oscillator, we determine the average energy current together with the current fluctuations. Finally, we discuss the generalization of the cumulant generating function for the energy transfer to nonthermal bath preparations.

  19. Nonequilibrium quantum chains under multisite Lindblad baths

    NASA Astrophysics Data System (ADS)

    Guimarães, Pedro H.; Landi, Gabriel T.; de Oliveira, Mario J.

    2016-09-01

    We study a quantum XX chain coupled to two heat reservoirs that act on multiple sites and are kept at different temperatures and chemical potentials. The baths are described by Lindblad dissipators, which are constructed by direct coupling to the fermionic normal modes of the chain. Using a perturbative method, we are able to find analytical formulas for all steady-state properties of the system. We compute both the particle or magnetization current and the energy current, both of which are found to have the structure of Landauer's formula. We also obtain exact formulas for the Onsager coefficients. All properties are found to differ substantially from those of a single-site bath. In particular, we find a strong dependence on the intensity of the bath couplings. In the weak-coupling regime, we show that the Onsager reciprocal relations are satisfied.

  20. Dissipative dynamics of a quantum two-state system in presence of nonequilibrium quantum noise

    NASA Astrophysics Data System (ADS)

    Mann, Niklas; Brüggemann, Jochen; Thorwart, Michael

    2016-12-01

    We analyze the real-time dynamics of a quantum two-state system in the presence of nonequilibrium quantum fluctuations. The latter are generated by a coupling of the two-state system to a single electronic level of a quantum dot which carries a nonequilibrium tunneling current. We restrict to the sequential tunneling regime and calculate the dynamics of the two-state system, of the dot population, and of the nonequilibrium charge current on the basis of a diagrammatic perturbative method valid for a weak tunneling coupling. We find a nontrivial dependence of the relaxation and dephasing rates of the two-state system due to the nonequilibrium fluctuations which is directly linked to the structure of the unperturbed central system. In addition, a Heisenberg-Langevin-equation of motion allows us to calculate the correlation function of the nonequilibrium fluctuations. By this, we obtain a generalized nonequilibrium fluctuation relation which includes the equilibrium fluctuation-dissipation theorem in the limit of zero transport voltage. A straightforward extension to the case with a time-periodic ac voltage is shown.

  1. Nonequilibrium steady states of ideal bosonic and fermionic quantum gases

    NASA Astrophysics Data System (ADS)

    Vorberg, Daniel; Wustmann, Waltraut; Schomerus, Henning; Ketzmerick, Roland; Eckardt, André

    2015-12-01

    We investigate nonequilibrium steady states of driven-dissipative ideal quantum gases of both bosons and fermions. We focus on systems of sharp particle number that are driven out of equilibrium either by the coupling to several heat baths of different temperature or by time-periodic driving in combination with the coupling to a heat bath. Within the framework of (Floquet-)Born-Markov theory, several analytical and numerical methods are described in detail. This includes a mean-field theory in terms of occupation numbers, an augmented mean-field theory taking into account also nontrivial two-particle correlations, and quantum-jump-type Monte Carlo simulations. For the case of the ideal Fermi gas, these methods are applied to simple lattice models and the possibility of achieving exotic states via bath engineering is pointed out. The largest part of this work is devoted to bosonic quantum gases and the phenomenon of Bose selection, a nonequilibrium generalization of Bose condensation, where multiple single-particle states are selected to acquire a large occupation [Phys. Rev. Lett. 111, 240405 (2013), 10.1103/PhysRevLett.111.240405]. In this context, among others, we provide a theory for transitions where the set of selected states changes, describe an efficient algorithm for finding the set of selected states, investigate beyond-mean-field effects, and identify the dominant mechanisms for heat transport in the Bose-selected state.

  2. Nonequilibrium quantum mechanics: A "hot quantum soup" of paramagnons

    NASA Astrophysics Data System (ADS)

    Scammell, H. D.; Sushkov, O. P.

    2017-01-01

    Motivated by recent measurements of the lifetime (decay width) of paramagnons in quantum antiferromagnet TlCuCl3, we investigate paramagnon decay in a heat bath and formulate an appropriate quantum theory. Our formulation can be split into two regimes: (i) a nonperturbative, "hot quantum soup" regime where the paramagnon width is comparable to its energy; (ii) a usual perturbative regime where the paramagnon width is significantly lower than its energy. Close to the Neel temperature, the paramagnon width becomes comparable to its energy and falls into the hot quantum soup regime. To describe this regime, we develop a new finite frequency, finite temperature technique for a nonlinear quantum field theory; the "golden rule of quantum kinetics." The formulation is generic and applicable to any three-dimensional quantum antiferromagnet in the vicinity of a quantum critical point. Specifically, we apply our results to TlCuCl3 and find agreement with experimental data. Additionally, we show that logarithmic running of the coupling constant in the upper critical dimension changes the commonly accepted picture of the quantum disordered and quantum critical regimes.

  3. Quantum Estimation, meet Computational Statistics; Computational Statistics, meet Quantum Estimation

    NASA Astrophysics Data System (ADS)

    Ferrie, Chris; Granade, Chris; Combes, Joshua

    2013-03-01

    Quantum estimation, that is, post processing data to obtain classical descriptions of quantum states and processes, is an intractable problem--scaling exponentially with the number of interacting systems. Thankfully there is an entire field, Computational Statistics, devoted to designing algorithms to estimate probabilities for seemingly intractable problems. So, why not look to the most advanced machine learning algorithms for quantum estimation tasks? We did. I'll describe how we adapted and combined machine learning methodologies to obtain an online learning algorithm designed to estimate quantum states and processes.

  4. QUANTUM MECHANICS WITHOUT STATISTICAL POSTULATES

    SciTech Connect

    G. GEIGER; ET AL

    2000-11-01

    The Bohmian formulation of quantum mechanics describes the measurement process in an intuitive way without a reduction postulate. Due to the chaotic motion of the hidden classical particle all statistical features of quantum mechanics during a sequence of repeated measurements can be derived in the framework of a deterministic single system theory.

  5. Non-Equilibrium Conductivity at Quantum Critical Points

    NASA Astrophysics Data System (ADS)

    Berridge, Andrew; Bhaseen, M. J.; Green, A. G.

    2013-03-01

    The behaviour of quantum systems driven out of equilibrium is a field in which we are still searching for general principles and universal results. Quantum critical systems are useful in this search as their out of equilibrium steady states may inherit universal features from equilibrium. While this has been shown in some cases, the calculational techniques used often involve simplified models or calculational tricks, which can obscure some of the underlying physical processes. Here we use a Boltzmann transport approach to study the steady-state non-equilibrium properties - conductivity and current noise, of the Bose-Hubbard model head-on. We must explicitly consider heat-flow and rate limiting processes in the establishment of the steady-state to show that it can indeed be universal. Our analysis reveals the importance of the hydrodynamic limit and the limitations of current approaches.

  6. Nonequilibrium statistical field theory for classical particles: Basic kinetic theory.

    PubMed

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

    2015-06-01

    Recently Mazenko and Das and Mazenko [Phys. Rev. E 81, 061102 (2010); J. Stat. Phys. 149, 643 (2012); J. Stat. Phys. 152, 159 (2013); Phys. Rev. E 83, 041125 (2011)] introduced a nonequilibrium 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 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.

  7. Nonequilibrium charge susceptibility and dynamical conductance: identification of scattering processes in quantum transport.

    PubMed

    Ness, H; Dash, L K

    2012-03-23

    We calculate the nonequilibrium charge transport properties of nanoscale junctions in the steady state and extend the concept of charge susceptibility to the nonequilibrium conditions. We show that the nonequilibrium charge susceptibility is related to the nonlinear dynamical conductance. In spectroscopic terms, both contain the same features versus applied bias when charge fluctuation occurs in the corresponding electronic resonances. However, we show that, while the conductance exhibits features at biases corresponding to inelastic scattering with no charge fluctuations, the nonequilibrium charge susceptibility does not. We suggest that measuring both the nonequilibrium conductance and charge susceptibility in the same experiment will permit us to differentiate between different scattering processes in quantum transport.

  8. Nonequilibrium work statistics of an Aharonov-Bohm flux.

    PubMed

    Yi, Juyeon; Talkner, Peter; Campisi, Michele

    2011-07-01

    We investigate the statistics of work performed on a noninteracting electron gas confined in a ring as a threaded magnetic field is turned on. For an electron gas initially prepared in a grand canonical state it is demonstrated that the Jarzynski equality continues to hold in this case, with the free energy replaced by the grand potential. The work distribution displays a marked dependence on the temperature. While in the classical (high-temperature) regime, the work probability density function follows a Gaussian distribution and the free energy difference entering the Jarzynski equality is null, the free energy difference is finite in the quantum regime, and the work probability distribution function becomes multimodal. We point out the dependence of the work statistics on the number of electrons composing the system.

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

    NASA Astrophysics Data System (ADS)

    Liu, Cheng-Wei

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

  10. Thermodynamic meaning of local temperature of nonequilibrium open quantum systems

    NASA Astrophysics Data System (ADS)

    Ye, LvZhou; Zheng, Xiao; Yan, YiJing; Di Ventra, Massimiliano

    2016-12-01

    Measuring the local temperature of nanoscale systems out of equilibrium has emerged as a new tool to study local heating effects and other local thermal properties of systems driven by external fields. Although various experimental protocols and theoretical definitions have been proposed to determine the local temperature, the thermodynamic meaning of the measured or defined quantities remains unclear. By performing analytical and numerical analysis of bias-driven quantum dot systems both in the noninteracting and strongly-correlated regimes, we elucidate the underlying physical meaning of local temperature as determined by two definitions: the zero-current condition that is widely used but not measurable and the minimal-perturbation condition that is experimentally realizable. We show that, unlike the zero-current condition, the local temperature determined by the minimal-perturbation protocol establishes a quantitative correspondence between the nonequilibrium system of interest and a reference equilibrium system, provided the probed system observable and the related electronic excitations are fully local. The quantitative correspondence thus allows the well-established thermodynamic concept to be extended to nonequilibrium situations.

  11. Nonequilibrium steady state in open quantum systems: Influence action, stochastic equation and power balance

    SciTech Connect

    Hsiang, J.-T.; Hu, B.L.

    2015-11-15

    The existence and uniqueness of a steady state for nonequilibrium systems (NESS) is a fundamental subject and a main theme of research in statistical mechanics for decades. For Gaussian systems, such as a chain of classical harmonic oscillators connected at each end to a heat bath, and for classical anharmonic oscillators under specified conditions, definitive answers exist in the form of proven theorems. Answering this question for quantum many-body systems poses a challenge for the present. In this work we address this issue by deriving the stochastic equations for the reduced system with self-consistent backaction from the two baths, calculating the energy flow from one bath to the chain to the other bath, and exhibiting a power balance relation in the total (chain + baths) system which testifies to the existence of a NESS in this system at late times. Its insensitivity to the initial conditions of the chain corroborates to its uniqueness. The functional method we adopt here entails the use of the influence functional, the coarse-grained and stochastic effective actions, from which one can derive the stochastic equations and calculate the average values of physical variables in open quantum systems. This involves both taking the expectation values of quantum operators of the system and the distributional averages of stochastic variables stemming from the coarse-grained environment. This method though formal in appearance is compact and complete. It can also easily accommodate perturbative techniques and diagrammatic methods from field theory. Taken all together it provides a solid platform for carrying out systematic investigations into the nonequilibrium dynamics of open quantum systems and quantum thermodynamics. -- Highlights: •Nonequilibrium steady state (NESS) for interacting quantum many-body systems. •Derivation of stochastic equations for quantum oscillator chain with two heat baths. •Explicit calculation of the energy flow from one bath to the

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

    SciTech Connect

    Bolivar, A.O.

    2011-05-15

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

  13. Open problems in non-equilibrium physics

    SciTech Connect

    Kusnezov, D.

    1997-09-22

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

  14. Exact Relaxation in a Class of Nonequilibrium Quantum Lattice Systems

    SciTech Connect

    Cramer, M.; Eisert, J.; Dawson, C. M.; Osborne, T. J.

    2008-01-25

    A reasonable physical intuition in the study of interacting quantum systems says that, independent of the initial state, the system will tend to equilibrate. In this work we introduce an experimentally accessible setting where relaxation to a steady state is exact, namely, for the Bose-Hubbard model quenched from a Mott quantum phase to the free strong superfluid regime. We rigorously prove that the evolving state locally relaxes to a steady state with maximum entropy constrained by second moments--thus maximizing the entanglement. Remarkably, for this to be true, no time average is necessary. Our argument includes a central limit theorem and exploits the finite speed of information transfer. We also show that for all periodic initial configurations (charge density waves) the system relaxes locally, and identify experimentally accessible signatures in optical lattices as well as implications for the foundations of statistical mechanics.

  15. Non-equilibrium slave bosons approach to quantum pumping in interacting quantum dots

    NASA Astrophysics Data System (ADS)

    Citro, Roberta; Romeo, Francesco

    2016-03-01

    We review a time-dependent slave bosons approach within the non-equilibrium Green's function technique to analyze the charge and spin pumping in a strongly interacting quantum dot. We study the pumped current as a function of the pumping phase and of the dot energy level and show that a parasitic current arises, beyond the pure pumping one, as an effect of the dynamical constraints. We finally illustrate an all-electrical mean for spin-pumping and discuss its relevance for spintronics applications.

  16. Quantum Statistical Testing of a QRNG Algorithm

    SciTech Connect

    Humble, Travis S; Pooser, Raphael C; Britt, Keith A

    2013-01-01

    We present the algorithmic design of a quantum random number generator, the subsequent synthesis of a physical design and its verification using quantum statistical testing. We also describe how quantum statistical testing can be used to diagnose channel noise in QKD protocols.

  17. Quantum coins, dice, and children: Probability and quantum statistics

    NASA Astrophysics Data System (ADS)

    Chow, Chi-Keung; Cohen, Thomas D.

    2000-09-01

    We discuss counterintuitive aspects of probabilities for systems of identical particles obeying quantum statistics. Quantum coins and children (two level systems) and quantum dice (many level systems) are used as examples. It is emphasized that, even in the absence of interactions, (anti)symmetrizations of multiparticle wave functions destroy statistical independences and often lead to dramatic departures from our intuitive expectations.

  18. Bright solitons in non-equilibrium coherent quantum matter

    PubMed Central

    Pinsker, F.; Flayac, H.

    2016-01-01

    We theoretically demonstrate a mechanism for bright soliton generation in spinor non-equilibrium Bose–Einstein condensates made of atoms or quasi-particles such as polaritons in semiconductor microcavities. We give analytical expressions for bright (half) solitons as minimizing functions of a generalized non-conservative Lagrangian elucidating the unique features of inter and intra-competition in non-equilibrium systems. The analytical results are supported by a detailed numerical analysis that further shows the rich soliton dynamics inferred by their instability and mutual cross-interactions. PMID:26997892

  19. Photon number statistics uncover the fluctuations in non-equilibrium lattice dynamics

    PubMed Central

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

    2015-01-01

    Fluctuations of the atomic positions are at the core of a large class of unusual material properties ranging from quantum para-electricity to high temperature superconductivity. Their measurement in solids is the subject of an intense scientific debate focused on seeking a methodology capable of establishing a direct link between the variance of the atomic displacements and experimentally measurable observables. Here we address this issue by means of non-equilibrium optical experiments performed in shot-noise-limited regime. The variance of the time-dependent atomic positions and momenta is directly mapped into the quantum fluctuations of the photon number of the scattered probing light. A fully quantum description of the non-linear interaction between photonic and phononic fields is benchmarked by unveiling the squeezing of thermal phonons in α-quartz. PMID:26690958

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

    PubMed

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

    2014-11-12

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

  1. Nonequilibrium dynamical mean-field theory: an auxiliary quantum master equation approach.

    PubMed

    Arrigoni, Enrico; Knap, Michael; von der Linden, Wolfgang

    2013-02-22

    We introduce a versatile method to compute electronic steady-state properties of strongly correlated extended quantum systems out of equilibrium. The approach is based on dynamical mean-field theory (DMFT), in which the original system is mapped onto an auxiliary nonequilibrium impurity problem imbedded in a Markovian environment. The steady-state Green's function of the auxiliary system is solved by full diagonalization of the corresponding Lindblad equation. The approach can be regarded as the nontrivial extension of the exact-diagonalization-based DMFT to the nonequilibrium case. As a first application, we consider an interacting Hubbard layer attached to two metallic leads and present results for the steady-state current and the nonequilibrium density of states.

  2. Quantum Statistical Testing of a Quantum Random Number Generator

    SciTech Connect

    Humble, Travis S

    2014-01-01

    The unobservable elements in a quantum technology, e.g., the quantum state, complicate system verification against promised behavior. Using model-based system engineering, we present methods for verifying the opera- tion of a prototypical quantum random number generator. We begin with the algorithmic design of the QRNG followed by the synthesis of its physical design requirements. We next discuss how quantum statistical testing can be used to verify device behavior as well as detect device bias. We conclude by highlighting how system design and verification methods must influence effort to certify future quantum technologies.

  3. Quantum statistical testing of a quantum random number generator

    NASA Astrophysics Data System (ADS)

    Humble, Travis S.

    2014-10-01

    The unobservable elements in a quantum technology, e.g., the quantum state, complicate system verification against promised behavior. Using model-based system engineering, we present methods for verifying the operation of a prototypical quantum random number generator. We begin with the algorithmic design of the QRNG followed by the synthesis of its physical design requirements. We next discuss how quantum statistical testing can be used to verify device behavior as well as detect device bias. We conclude by highlighting how system design and verification methods must influence effort to certify future quantum technologies.

  4. Nonequilibrium quantum relaxation across a localization-delocalization transition

    NASA Astrophysics Data System (ADS)

    Roósz, Gergő; Divakaran, Uma; Rieger, Heiko; Iglói, Ferenc

    2014-11-01

    We consider the one-dimensional X X model in a quasiperiodic transverse field described by the Harper potential, which is equivalent to a tight-binding model of spinless fermions with a quasiperiodic chemical potential. For weak transverse field (chemical potential), h hc . We study the nonequilibrium relaxation of the system by applying two protocols: a sudden change of h (quench dynamics) and a slow change of h in time (adiabatic dynamics). For a quench into the delocalized (localized) phase, the entanglement entropy grows linearly (saturates) and the order parameter decreases exponentially (has a finite limiting value). For a critical quench the entropy increases algebraically with time, whereas the order parameter decreases with a stretched exponential. The density of defects after an adiabatic field change through the critical point is shown to scale with a power of the rate of field change and a scaling relation for the exponent is derived.

  5. What can we learn from noise? — Mesoscopic nonequilibrium statistical physics —

    PubMed Central

    KOBAYASHI, Kensuke

    2016-01-01

    Mesoscopic systems — small electric circuits working in quantum regime — offer us a unique experimental stage to explorer quantum transport in a tunable and precise way. The purpose of this Review is to show how they can contribute to statistical physics. We introduce the significance of fluctuation, or equivalently noise, as noise measurement enables us to address the fundamental aspects of a physical system. The significance of the fluctuation theorem (FT) in statistical physics is noted. We explain what information can be deduced from the current noise measurement in mesoscopic systems. As an important application of the noise measurement to statistical physics, we describe our experimental work on the current and current noise in an electron interferometer, which is the first experimental test of FT in quantum regime. Our attempt will shed new light in the research field of mesoscopic quantum statistical physics. PMID:27477456

  6. Validity of nonequilibrium work relations for the rapidly expanding quantum piston.

    PubMed

    Quan, H T; Jarzynski, Christopher

    2012-03-01

    Recent work by Teifel and Mahler [Eur. Phys. J. B 75, 275 (2010)] raises legitimate concerns regarding the validity of quantum nonequilibrium work relations in processes involving moving hard walls. We study this issue in the context of the rapidly expanding one-dimensional quantum piston. Utilizing exact solutions of the time-dependent Schrödinger equation, we find that the evolution of the wave function can be decomposed into static and dynamic components, which have simple semiclassical interpretations in terms of particle-piston collisions. We show that nonequilibrium work relations remain valid at any finite piston speed, provided both components are included, and we study explicitly the work distribution for this model system.

  7. Development of a non-equilibrium quantum transport calculation method based on constrained density functional

    NASA Astrophysics Data System (ADS)

    Kim, Han Seul; Kim, Yong-Hoon

    2015-03-01

    We report on the development of a novel first-principles method for the calculation of non-equilibrium quantum transport process. Within the scheme, non-equilibrium situation and quantum transport within the open-boundary condition are described by the region-dependent Δ self-consistent field method and matrix Green's function theory, respectively. We will discuss our solutions to the technical difficulties in describing bias-dependent electron transport at complicated nanointerfaces and present several application examples. Global Frontier Program (2013M3A6B1078881), Basic Science Research Grant (2012R1A1A2044793), EDISON Program (No. 2012M3C1A6035684), and 2013 Global Ph.D fellowship program of the National Research Foundation. KISTI Supercomputing Center (KSC-2014-C3-021).

  8. Vibrational-coherence measurement of nonequilibrium quantum systems by four-wave mixing

    NASA Astrophysics Data System (ADS)

    Schubert, Alexander; Falvo, Cyril; Meier, Christoph

    2015-11-01

    We show theoretically that a quantum system in a nonequilibrium state interacting with a set of laser pulses in a four-wave-mixing setup leads to signal emission in directions opposite to the ones usually considered. When combined with a pump mechanism which sets a time origin for the nonequilibrium state creation, this particular optical response can be utilized to directly follow decoherence processes in real time. By varying the time delays within the probe sequence, signals in these unconventional directions can also be used to detect two-dimensional spectra determined by the dynamics of up to three-quantum coherences, revealing energetical anharmonicities and environmental influences. As a numerical example, these findings are demonstrated by considering a model of vibrational decoherence of carbon monoxide after photolysis from a hemeprotein.

  9. Nonequilibrium density-matrix description of steady-state quantum transport.

    PubMed

    Dhar, Abhishek; Saito, Keiji; Hänggi, Peter

    2012-01-01

    With this work we investigate the stationary nonequilibrium density matrix of current carrying nonequilibrium steady states of in-between quantum systems that are connected to reservoirs. We describe the analytical procedure to obtain the explicit result for the reduced density matrix of quantum transport when the system, the connecting reservoirs, and the system-reservoir interactions are described by quadratic Hamiltonians. Our procedure is detailed for both electronic transport described by the tight-binding Hamiltonian and for phonon transport described by harmonic Hamiltonians. For the special case of weak system-reservoir couplings, a more detailed description of the steady-state density matrix is obtained. Several paradigm transport setups for interelectrode electron transport and low-dimensional phonon heat flux are elucidated.

  10. Nonequilibrium statistical mechanics of mixtures of particles in contact with different thermostats

    NASA Astrophysics Data System (ADS)

    Grosberg, A. Y.; Joanny, J.-F.

    2015-09-01

    We introduce a novel type of locally driven systems made of two types of particles (or a polymer with two types of monomers) subject to a chaotic drive with approximately white noise spectrum, but different intensity; in other words, particles of different types are in contact with thermostats at different temperatures. We present complete systematic statistical mechanics treatment starting from first principles. Although we consider only corrections to the dilute limit due to pairwise collisions between particles, meaning we study a nonequilibrium analog of the second virial approximation, we find that the system exhibits a surprisingly rich behavior. In particular, pair correlation function of particles has an unusual quasi-Boltzmann structure governed by an effective temperature distinct from that of any of the two thermostats. We also show that at sufficiently strong drive the uniformly mixed system becomes unstable with respect to steady states consisting of phases enriched with different types of particles. In the second virial approximation, we define nonequilibrium "chemical potentials" whose gradients govern diffusion fluxes and a nonequilibrium "osmotic pressure," which governs the mechanical stability of the interface.

  11. Optically Imaged Striped Domains of Nonequilibrium Electronic and Nuclear Spins in a Fractional Quantum Hall Liquid.

    PubMed

    Moore, John N; Hayakawa, Junichiro; Mano, Takaaki; Noda, Takeshi; Yusa, Go

    2017-02-17

    Using photoluminescence microscopy enhanced by magnetic resonance, we visualize in real space both electron and nuclear polarization occurring in nonequilibrium fraction quantum Hall (FQH) liquids. We observe stripelike domain regions comprising FQH excited states which discretely form when the FQH liquid is excited by a source-drain current. These regions are deformable and give rise to bidirectionally polarized nuclear spins as spin-resolved electrons flow across their boundaries.

  12. Optically Imaged Striped Domains of Nonequilibrium Electronic and Nuclear Spins in a Fractional Quantum Hall Liquid

    NASA Astrophysics Data System (ADS)

    Moore, John N.; Hayakawa, Junichiro; Mano, Takaaki; Noda, Takeshi; Yusa, Go

    2017-02-01

    Using photoluminescence microscopy enhanced by magnetic resonance, we visualize in real space both electron and nuclear polarization occurring in nonequilibrium fraction quantum Hall (FQH) liquids. We observe stripelike domain regions comprising FQH excited states which discretely form when the FQH liquid is excited by a source-drain current. These regions are deformable and give rise to bidirectionally polarized nuclear spins as spin-resolved electrons flow across their boundaries.

  13. Nonequilibrium spin-polarized thermal transport in ferromagnetic-quantum dot-metal system

    NASA Astrophysics Data System (ADS)

    Xu, Li; Li, Zhi-Jian; Niu, Pengbin; Nie, Yi-Hang

    2016-10-01

    We use nonequilibrium Green function to analyze the nonequilibrium spin-polarized thermal transport through the ferromagnetic-quantum dot-metal system, in which a quantum dot (QD) is coupled to the ferromagnetic and metal electrodes with the voltage bias and the temperature shift. The differential thermoelectric conductance L (θ) is always zero and has no relation with the temperature shift when ε is equal to the Fermi level. The positive and negative values of L (θ) manifest the thermoelectric characteristic of electron-like (or hole-like) carrier when the temperature shift is nonzero. The electrostatic potential U becomes spin-dependent, and makes the dot level renormalization when the ferromagnetic-quantum dot-metal system is driven by the voltage bias and the temperature shift. We define that the spin polarization of the currents between the spin current Is and the electric current Ic is denoted as Is /Ic. The spin polarization Is /Ic shows novel and unique physical phenomenon when the voltage bias and the temperature shift are changed in the nonequilibrium state. Another interesting phenomenon is that we can obtain the pure spin current and a zero point of the thermocurrent Ith by adjusting the voltage bias and the temperature shift.

  14. Non-linear quantum-classical scheme to simulate non-equilibrium strongly correlated fermionic many-body dynamics

    PubMed Central

    Kreula, J. M.; Clark, S. R.; Jaksch, D.

    2016-01-01

    We propose a non-linear, hybrid quantum-classical scheme for simulating non-equilibrium dynamics of strongly correlated fermions described by the Hubbard model in a Bethe lattice in the thermodynamic limit. Our scheme implements non-equilibrium dynamical mean field theory (DMFT) and uses a digital quantum simulator to solve a quantum impurity problem whose parameters are iterated to self-consistency via a classically computed feedback loop where quantum gate errors can be partly accounted for. We analyse the performance of the scheme in an example case. PMID:27609673

  15. Observing the nonequilibrium dynamics of the quantum transverse-field Ising chain in circuit QED.

    PubMed

    Viehmann, Oliver; von Delft, Jan; Marquardt, Florian

    2013-01-18

    We show how a quantum Ising spin chain in a time-dependent transverse magnetic field can be simulated and experimentally probed in the framework of circuit QED with current technology. The proposed setup provides a new platform for observing the nonequilibrium dynamics of interacting many-body systems. We calculate its spectrum to offer a guideline for its initial experimental characterization. We demonstrate that quench dynamics and the propagation of localized excitations can be observed with the proposed setup and discuss further possible applications and modifications of this circuit QED quantum simulator.

  16. Hidden Statistics Approach to Quantum Simulations

    NASA Technical Reports Server (NTRS)

    Zak, Michail

    2010-01-01

    Recent advances in quantum information theory have inspired an explosion of interest in new quantum algorithms for solving hard computational (quantum and non-quantum) problems. The basic principle of quantum computation is that the quantum properties can be used to represent structure data, and that quantum mechanisms can be devised and built to perform operations with this data. Three basic non-classical properties of quantum mechanics superposition, entanglement, and direct-product decomposability were main reasons for optimism about capabilities of quantum computers that promised simultaneous processing of large massifs of highly correlated data. Unfortunately, these advantages of quantum mechanics came with a high price. One major problem is keeping the components of the computer in a coherent state, as the slightest interaction with the external world would cause the system to decohere. That is why the hardware implementation of a quantum computer is still unsolved. The basic idea of this work is to create a new kind of dynamical system that would preserve the main three properties of quantum physics superposition, entanglement, and direct-product decomposability while allowing one to measure its state variables using classical methods. In other words, such a system would reinforce the advantages and minimize limitations of both quantum and classical aspects. Based upon a concept of hidden statistics, a new kind of dynamical system for simulation of Schroedinger equation is proposed. The system represents a modified Madelung version of Schroedinger equation. It preserves superposition, entanglement, and direct-product decomposability while allowing one to measure its state variables using classical methods. Such an optimal combination of characteristics is a perfect match for simulating quantum systems. The model includes a transitional component of quantum potential (that has been overlooked in previous treatment of the Madelung equation). The role of the

  17. NON-EQUILIBRIUM DYNAMICS OF MANY-BODY QUANTUM SYSTEMS: FUNDAMENTALS AND NEW FRONTIER

    SciTech Connect

    DeMille, David; LeHur, Karyn

    2013-11-27

    Rapid progress in nanotechnology and naofabrication techniques has ushered in a new era of quantum transport experiments. This has in turn heightened the interest in theoretical understanding of nonequilibrium dynamics of strongly correlated quantum systems. This project has advanced the frontiers of understanding in this area along several fronts. For example, we showed that under certain conditions, quantum impurities out of equilibrium can be reformulated in terms of an effective equilibrium theory; this makes it possible to use the gamut of tools available for quantum systems in equilibrium. On a different front, we demonstrated that the elastic power of a transmitted microwave photon in circuit QED systems can exhibit a many-body Kondo resonance. We also showed that under many circumstances, bipartite fluctuations of particle number provide an effective tool for studying many-body physics—particularly the entanglement properties of a many-body system. This implies that it should be possible to measure many-body entanglement in relatively simple and tractable quantum systems. In addition, we studied charge relaxation in quantum RC circuits with a large number of conducting channels, and elucidated its relation to Kondo models in various regimes. We also extended our earlier work on the dynamics of driven and dissipative quantum spin-boson impurity systems, deriving a new formalism that makes it possible to compute the full spin density matrix and spin-spin correlation functions beyond the weak coupling limit. Finally, we provided a comprehensive analysis of the nonequilibrium transport near a quantum phase transition in the case of a spinless dissipative resonant-level model. This project supported the research of two Ph.D. students and two postdoctoral researchers, whose training will allow them to further advance the field in coming years.

  18. Higher-order generalized hydrodynamics: Foundations within a nonequilibrium statistical ensemble formalism.

    PubMed

    Silva, Carlos A B; Rodrigues, Clóves G; Ramos, J Galvão; Luzzi, Roberto

    2015-06-01

    Construction, in the framework of a nonequilibrium statistical ensemble formalism, of a higher-order generalized hydrodynamics, also referred to as mesoscopic hydrothermodynamics, that is, covering phenomena involving motion of fluids displaying variations short in space and fast in time-unrestricted values of Knudsen numbers, is presented. In that way, an approach is provided enabling the coupling and simultaneous treatment of the kinetics and hydrodynamic levels of descriptions. It is based on a complete thermostatistical approach in terms of the densities of matter and energy and their fluxes of all orders covering systems arbitrarily driven away from equilibrium. The set of coupled nonlinear integrodifferential hydrodynamic equations is derived. They are the evolution equations of the Gradlike moments of all orders, derived from a generalized kinetic equation built in the framework of the nonequilibrium statistical ensemble formalism. For illustration, the case of a system of particles embedded in a fluid acting as a thermal bath is fully described. The resulting enormous set of coupled evolution equations is of unmanageable proportions, thus requiring in practice to introduce an appropriate description using the smallest possible number of variables. We have obtained a hierarchy of Maxwell times, associated to the set of all the higher-order fluxes, which have a particular relevance in the process of providing criteria for establishing the contraction of description.

  19. Logarithmic current fluctuations in nonequilibrium quantum spin chains.

    PubMed

    Antal, T; Krapivsky, P L; Rákos, A

    2008-12-01

    We study zero-temperature quantum spin chains, which are characterized by a nonvanishing current. For the XX model starting from the initial state mid R:cdots, three dots, centered upward arrow upward arrow upward arrow downward arrow downward arrow downward arrowcdots, three dots, centered we derive an exact expression for the variance of the total spin current. We show that asymptotically the variance exhibits an anomalously slow logarithmic growth; we also extract the subleading constant term. We then argue that the logarithmic growth remains valid for the XXZ model in the critical region.

  20. Nonequilibrium forces between atoms and dielectrics mediated by a quantum field

    SciTech Connect

    Behunin, Ryan O.; Hu, Bei-Lok

    2011-07-15

    In this paper we give a first principles microphysics derivation of the nonequilibrium forces between an atom, treated as a three-dimensional harmonic oscillator, and a bulk dielectric medium modeled as a continuous lattice of oscillators coupled to a reservoir. We assume no direct interaction between the atom and the medium but there exist mutual influences transmitted via a common electromagnetic field. By employing concepts and techniques of open quantum systems we introduce coarse-graining to the physical variables--the medium, the quantum field, and the atom's internal degrees of freedom, in that order--to extract their averaged effects from the lowest tier progressively to the top tier. The first tier of coarse-graining provides the averaged effect of the medium upon the field, quantified by a complex permittivity (in the frequency domain) describing the response of the dielectric to the field in addition to its back action on the field through a stochastic forcing term. The last tier of coarse-graining over the atom's internal degrees of freedom results in an equation of motion for the atom's center of mass from which we can derive the force on the atom. Our nonequilibrium formulation provides a fully dynamical description of the atom's motion including back-action effects from all other relevant variables concerned. In the long-time limit we recover the known results for the atom-dielectric force when the combined system is in equilibrium or in a nonequilibrium stationary state.

  1. Quantum free-energy differences from nonequilibrium path integrals. I. Methods and numerical application.

    PubMed

    van Zon, Ramses; Hernández de la Peña, Lisandro; Peslherbe, Gilles H; Schofield, Jeremy

    2008-10-01

    In this paper, the imaginary-time path-integral representation of the canonical partition function of a quantum system and nonequilibrium work fluctuation relations are combined to yield methods for computing free-energy differences in quantum systems using nonequilibrium processes. The path-integral representation is isomorphic to the configurational partition function of a classical field theory, to which a natural but fictitious Hamiltonian dynamics is associated. It is shown that if this system is prepared in an equilibrium state, after which a control parameter in the fictitious Hamiltonian is changed in a finite time, then formally the Jarzynski nonequilibrium work relation and the Crooks fluctuation relation hold, where work is defined as the change in the energy as given by the fictitious Hamiltonian. Since the energy diverges for the classical field theory in canonical equilibrium, two regularization methods are introduced which limit the number of degrees of freedom to be finite. The numerical applicability of the methods is demonstrated for a quartic double-well potential with varying asymmetry. A general parameter-free smoothing procedure for the work distribution functions is useful in this context.

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

    PubMed

    Ajisaka, Shigeru; Žunkovič, Bojan; Dubi, Yonatan

    2015-02-09

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

  3. The Molecular Photo-Cell: Quantum Transport and Energy Conversion at Strong Non-Equilibrium

    PubMed Central

    Ajisaka, Shigeru; Žunkovič, Bojan; Dubi, Yonatan

    2015-01-01

    The molecular photo-cell is a single molecular donor-acceptor complex attached to electrodes and subject to external illumination. Besides the obvious relevance to molecular photo-voltaics, the molecular photo-cell is of interest being a paradigmatic example for a system that inherently operates in out-of-equilibrium conditions and typically far from the linear response regime. Moreover, this system includes electrons, phonons and photons, and environments which induce coherent and incoherent processes, making it a challenging system to address theoretically. Here, using an open quantum systems approach, we analyze the non-equilibrium transport properties and energy conversion performance of a molecular photo-cell, including both coherent and incoherent processes and treating electrons, photons, and phonons on an equal footing. We find that both the non-equilibrium conditions and decoherence play a crucial role in determining the performance of the photovoltaic conversion and the optimal energy configuration of the molecular system. PMID:25660494

  4. Dynamical signatures of molecular symmetries in nonequilibrium quantum transport.

    PubMed

    Thingna, Juzar; Manzano, Daniel; Cao, Jianshu

    2016-06-17

    Symmetries play a crucial role in ubiquitous systems found in Nature. In this work, we propose an elegant approach to detect symmetries by measuring quantum currents. Our detection scheme relies on initiating the system in an anti-symmetric initial condition, with respect to the symmetric sites, and using a probe that acts like a local noise. Depending on the position of the probe the currents exhibit unique signatures such as a quasi-stationary plateau indicating the presence of metastability and multi-exponential decays in case of multiple symmetries. The signatures are sensitive to the characteristics of the probe and vanish completely when the timescale of the coherent system dynamics is much longer than the timescale of the probe. These results are demonstrated using a 4-site model and an archetypal example of the para-benzene ring and are shown to be robust under a weak disorder.

  5. Dynamical signatures of molecular symmetries in nonequilibrium quantum transport

    NASA Astrophysics Data System (ADS)

    Thingna, Juzar; Manzano, Daniel; Cao, Jianshu

    2016-06-01

    Symmetries play a crucial role in ubiquitous systems found in Nature. In this work, we propose an elegant approach to detect symmetries by measuring quantum currents. Our detection scheme relies on initiating the system in an anti-symmetric initial condition, with respect to the symmetric sites, and using a probe that acts like a local noise. Depending on the position of the probe the currents exhibit unique signatures such as a quasi-stationary plateau indicating the presence of metastability and multi-exponential decays in case of multiple symmetries. The signatures are sensitive to the characteristics of the probe and vanish completely when the timescale of the coherent system dynamics is much longer than the timescale of the probe. These results are demonstrated using a 4-site model and an archetypal example of the para-benzene ring and are shown to be robust under a weak disorder.

  6. Dynamical signatures of molecular symmetries in nonequilibrium quantum transport

    PubMed Central

    Thingna, Juzar; Manzano, Daniel; Cao, Jianshu

    2016-01-01

    Symmetries play a crucial role in ubiquitous systems found in Nature. In this work, we propose an elegant approach to detect symmetries by measuring quantum currents. Our detection scheme relies on initiating the system in an anti-symmetric initial condition, with respect to the symmetric sites, and using a probe that acts like a local noise. Depending on the position of the probe the currents exhibit unique signatures such as a quasi-stationary plateau indicating the presence of metastability and multi-exponential decays in case of multiple symmetries. The signatures are sensitive to the characteristics of the probe and vanish completely when the timescale of the coherent system dynamics is much longer than the timescale of the probe. These results are demonstrated using a 4-site model and an archetypal example of the para-benzene ring and are shown to be robust under a weak disorder. PMID:27311717

  7. Quantum superchemistry: Role of trapping profile and quantum statistics

    SciTech Connect

    Olsen, M.K.

    2004-01-01

    The process of Raman photoassociation of a trapped atomic condensate to form condensed molecules has been labeled superchemistry because it can occur at 0 K and experiences coherent bosonic stimulation. We show here that the differences from ordinary chemical processes go even deeper, with the conversion rates depending on the quantum state of the reactants, as expressed by the Wigner function. We consider different initial quantum states of the trapped atomic condensate and different forms of the confining potentials, demonstrating the importance of the quantum statistics and the extra degrees of freedom which massive particles and trapping potentials make available over the analogous optical process of second-harmonic generation. We show that both mean-field analyses and quantum calculations using an inappropriate initial condition can make inaccurate predictions for a given system. This is possible whether using a spatially dependent analysis or a zero-dimensional approach as commonly used in quantum optics.

  8. Transport Properties of a Nonequilibrium Quantum Dot Connected to Ferromagnetic Leads

    NASA Astrophysics Data System (ADS)

    Yongmei, Zhang

    2017-03-01

    In this paper, transmission resonance and conductance properties of nonequilibrium quantum dot connected by ferromagnetic leads are investigated. Thermoelectric properties are also studied. Using the tight-binding formalism and numerically solving the Schrodinger equation, spin-dependent transmissions are obtained and plotted as a function of incoming electron energy. Transmissions of spin up and spin down electrons change in different ways as voltage bias and tilt angle change. Current spin polarization can be sensitively tuned by adjusting voltage bias. These research indicates the possible methods to modulate tilt angle or the bias voltage to obtain spin-dependent transmission, spin polarized current and effective Seebeck coefficients.

  9. Optical wave turbulence: Towards a unified nonequilibrium thermodynamic formulation of statistical nonlinear optics

    NASA Astrophysics Data System (ADS)

    Picozzi, A.; Garnier, J.; Hansson, T.; Suret, P.; Randoux, S.; Millot, G.; Christodoulides, D. N.

    2014-09-01

    The nonlinear propagation of coherent optical fields has been extensively explored in the framework of nonlinear optics, while the linear propagation of incoherent fields has been widely studied in the framework of statistical optics. However, these two fundamental fields of optics have been mostly developed independently of each other, so that a satisfactory understanding of statistical nonlinear optics is still lacking. This article is aimed at reviewing a unified theoretical formulation of statistical nonlinear optics on the basis of the wave turbulence theory, which provides a nonequilibrium thermodynamic description of the system of incoherent nonlinear waves. We consider the nonlinear Schrödinger equation as a representative model accounting either for a nonlocal or a noninstantaneous nonlinearity, as well as higher-order dispersion effects. Depending on the amount of nonlocal (noninstantaneous) nonlinear interaction and the amount of inhomogeneous (nonstationary) statistics of the incoherent wave, different types of kinetic equations are derived and discussed. In the spatial domain, when the incoherent wave exhibits inhomogeneous statistical fluctuations, different forms of the (Hamiltonian) Vlasov equation are obtained depending on the amount of nonlocality. This Vlasov approach describes the processes of incoherent modulational instability and localized incoherent soliton structures. In the temporal domain, the causality property inherent to the response function leads to a kinetic formulation analogous to the weak Langmuir turbulence equation, which describes nonlocalized spectral incoherent solitons. In the presence of a highly noninstantaneous response, this formulation reduces to a family of singular integro-differential kinetic equations (e.g., Benjamin-Ono equation), which describe incoherent dispersive shock waves. Conversely, a non-stationary statistics leads to a (non-Hamiltonian) long-range Vlasov formulation, whose self-consistent potential is

  10. Communication: Maximum caliber is a general variational principle for nonequilibrium statistical mechanics

    NASA Astrophysics Data System (ADS)

    Hazoglou, Michael J.; Walther, Valentin; Dixit, Purushottam D.; Dill, Ken A.

    2015-08-01

    There has been interest in finding a general variational principle for non-equilibrium statistical mechanics. We give evidence that Maximum Caliber (Max Cal) is such a principle. Max Cal, a variant of maximum entropy, predicts dynamical distribution functions by maximizing a path entropy subject to dynamical constraints, such as average fluxes. We first show that Max Cal leads to standard near-equilibrium results—including the Green-Kubo relations, Onsager's reciprocal relations of coupled flows, and Prigogine's principle of minimum entropy production—in a way that is particularly simple. We develop some generalizations of the Onsager and Prigogine results that apply arbitrarily far from equilibrium. Because Max Cal does not require any notion of "local equilibrium," or any notion of entropy dissipation, or temperature, or even any restriction to material physics, it is more general than many traditional approaches. It also applicable to flows and traffic on networks, for example.

  11. The asymmetric simple exclusion process: an integrable model for non-equilibrium statistical mechanics

    NASA Astrophysics Data System (ADS)

    Golinelli, Olivier; Mallick, Kirone

    2006-10-01

    The asymmetric simple exclusion process (ASEP) plays the role of a paradigm in non-equilibrium statistical mechanics. We review exact results for the ASEP obtained by the Bethe ansatz and put emphasis on the algebraic properties of this model. The Bethe equations for the eigenvalues of the Markov matrix of the ASEP are derived from the algebraic Bethe ansatz. Using these equations we explain how to calculate the spectral gap of the model and how global spectral properties such as the existence of multiplets can be predicted. An extension of the Bethe ansatz leads to an analytic expression for the large deviation function of the current in the ASEP that satisfies the Gallavotti-Cohen relation. Finally, we describe some variants of the ASEP that are also solvable by the Bethe ansatz.

  12. The statistical theory of quantum dots

    NASA Astrophysics Data System (ADS)

    Alhassid, Y.

    2000-10-01

    A quantum dot is a sub-micron-scale conducting device containing up to several thousand electrons. Transport through a quantum dot at low temperatures is a quantum-coherent process. This review focuses on dots in which the electron's dynamics are chaotic or diffusive, giving rise to statistical properties that reflect the interplay between one-body chaos, quantum interference, and electron-electron interactions. The conductance through such dots displays mesoscopic fluctuations as a function of gate voltage, magnetic field, and shape deformation. The techniques used to describe these fluctuations include semiclassical methods, random-matrix theory, and the supersymmetric nonlinear σ model. In open dots, the approximation of noninteracting quasiparticles is justified, and electron-electron interactions contribute indirectly through their effect on the dephasing time at finite temperature. In almost-closed dots, where conductance occurs by tunneling, the charge on the dot is quantized, and electron-electron interactions play an important role. Transport is dominated by Coulomb blockade, leading to peaks in the conductance that at low temperatures provide information on the dot's ground-state properties. Several statistical signatures of electron-electron interactions have been identified, most notably in the dot's addition spectrum. The dot's spin, determined partly by exchange interactions, can also influence the fluctuation properties of the conductance. Other mesoscopic phenomena in quantum dots that are affected by the charging energy include the fluctuations of the cotunneling conductance and mesoscopic Coulomb blockade.

  13. Measuring nonequilibrium retarded spin-spin Green's functions in an ion-trap-based quantum simulator

    NASA Astrophysics Data System (ADS)

    Yoshimura, Bryce T.; Freericks, J. K.

    2016-05-01

    Recently a variant on Ramsey interferometry for coupled spin-1 /2 systems was proposed to directly measure the retarded spin-spin Green's function. In conventional experimental situations, the spin system is initially in a nonequilibrium state before the Ramsey interferometry is performed, so we examine the nonequilibrium retarded spin-spin Green's functions within the transverse-field Ising model. We derive the lowest four spectral moments to understand the short-time behavior and we employ a Lehmann-like representation to determine the spectral behavior. We simulate a Ramsey protocol for a nonequilibrium quantum spin system that consists of a coherent superposition of the ground state and diabatically excited higher-energy states via a temporally ramped transverse magnetic field. We then apply the Ramsey spectroscopy protocol to the final Hamiltonian, which has a constant transverse field. The short time allows us to extract the initial transport of many-body correlations, while the long-time behavior relates to the excitation spectra of the Hamiltonian. Compressive sensing is employed in the data analysis to efficiently extract that spectra.

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

    NASA Astrophysics Data System (ADS)

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

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

  15. Nonequilibrium forces between atoms and dielectrics mediated by a quantum field

    NASA Astrophysics Data System (ADS)

    Behunin, Ryan O.; Hu, Bei-Lok

    2011-07-01

    In this paper we give a first principles microphysics derivation of the nonequilibrium forces between an atom, treated as a three-dimensional harmonic oscillator, and a bulk dielectric medium modeled as a continuous lattice of oscillators coupled to a reservoir. We assume no direct interaction between the atom and the medium but there exist mutual influences transmitted via a common electromagnetic field. By employing concepts and techniques of open quantum systems we introduce coarse-graining to the physical variables—the medium, the quantum field, and the atom’s internal degrees of freedom, in that order—to extract their averaged effects from the lowest tier progressively to the top tier. The first tier of coarse-graining provides the averaged effect of the medium upon the field, quantified by a complex permittivity (in the frequency domain) describing the response of the dielectric to the field in addition to its back action on the field through a stochastic forcing term. The last tier of coarse-graining over the atom’s internal degrees of freedom results in an equation of motion for the atom’s center of mass from which we can derive the force on the atom. Our nonequilibrium formulation provides a fully dynamical description of the atom’s motion including back-action effects from all other relevant variables concerned. In the long-time limit we recover the known results for the atom-dielectric force when the combined system is in equilibrium or in a nonequilibrium stationary state.

  16. Spectroscopy of equilibrium and nonequilibrium charge transfer in semiconductor quantum structures

    NASA Astrophysics Data System (ADS)

    Rössler, C.; Burkhard, S.; Krähenmann, T.; Röösli, M.; Märki, P.; Basset, J.; Ihn, T.; Ensslin, K.; Reichl, C.; Wegscheider, W.

    2014-08-01

    We investigate equilibrium and nonequilibrium charge-transfer processes by performing high-resolution transport spectroscopy. Using electrostatically defined quantum dots for energy-selective emission and detection, we achieved very high spectral resolution and a high degree of tunability of relevant experimental parameters. Most importantly, we observe that the spectral width of elastically transferred electrons can be substantially smaller than the linewidth of a thermally broadened Coulomb peak. This finding indicates that the charge-transfer process is fast compared to the electron-phonon interaction time. By drawing an analogy to double quantum dots, we argue that the spectral width of the elastic resonance is determined by the lifetime broadening hΓ of the emitter and detector states. Good agreement with the model is found also in an experiment in which the charge transfer is in the regime hΓ≫kBT. By performing spectroscopy below the Fermi energy, we furthermore observe elastic and inelastic transfer of holes.

  17. Quantum statistical mechanics in arithmetic topology

    NASA Astrophysics Data System (ADS)

    Marcolli, Matilde; Xu, Yujie

    2017-04-01

    This paper provides a construction of a quantum statistical mechanical system associated to knots in the 3-sphere and cyclic branched coverings of the 3-sphere, which is an analog, in the sense of arithmetic topology, of the Bost-Connes system, with knots replacing primes, and cyclic branched coverings of the 3-sphere replacing abelian extensions of the field of rational numbers. The operator algebraic properties of this system differ significantly from the Bost-Connes case, due to the properties of the action of the semigroup of knots on a direct limit of knot groups. The resulting algebra of observables is a noncommutative Bernoulli product. We describe the main properties of the associated quantum statistical mechanical system and of the relevant partition functions, which are obtained from simple knot invariants like genus and crossing number.

  18. Nonequilibrium thermal effects on exciton time correlations in coupled semiconductor quantum dots

    SciTech Connect

    Castillo, J. C.; Rodríguez, F. J.; Quiroga, L.

    2013-12-04

    Theoretical guides to test 'macroscopic realism' in solid-state systems under quantum control are highly desirable. Here, we report on the evolution of a Leggett-Garg inequality (LGI), a combination of two-time correlations, in an out-of-equilibrium set up consisting of two interacting excitons confined in separate semiconductor quantum dots which are coupled to independent baths at different temperatures (T{sub 1} ≠ T{sub 2}). In a Markovian steady-state situation we found a rich variety of dynamical behaviors in different sectors of the average temperature (T{sub M} = (T{sub 1}+T{sub 2})/2) vs. coupling strength to the reservoirs (Γ) space parameter. For high T{sub M} and Γ values the LGI is not violated, as expected. However, by decreasing T{sub M} or Γ a sector of parameters appears where the LGI is violated at thermal equilibrium (T{sub 1} = T{sub 2}) and the violation starts decreasing when the system is moved out of the equilibrium. Surprisingly, at even lower T{sub M} values, for any Γ, there is an enhancement of the LGI violation by exposing the system to a temperature gradient, i.e. quantum correlations increase in a nonequilibrium thermal situation. Results on LGI violations in a steady-state regime are compared with other non-locality-dominated quantum correlation measurements, such as concurrence and quantum discord, between the two excitons under similar temperature gradients.

  19. Quantum entanglement at high temperatures? Bosonic systems in nonequilibrium steady state

    NASA Astrophysics Data System (ADS)

    Hsiang, Jen-Tsung; Hu, B. L.

    2015-11-01

    This is the second of a series of three papers examining how viable it is for entanglement to be sustained at high temperatures for quantum systems in thermal equilibrium (Case A), in nonequilibrium (Case B) and in nonequilibrium steady state (NESS) conditions (Case C). The system we analyze here consists of two coupled quantum harmonic oscillators each interacting with its own bath described by a scalar field, set at temperatures T 1 > T 2. For constant bilinear inter-oscillator coupling studied here (Case C1) owing to the Gaussian nature, the problem can be solved exactly at arbitrary temperatures even for strong coupling. We find that the valid entanglement criterion in general is not a function of the bath temperature difference, in contrast to thermal transport in the same NESS setting [1]. Thus lowering the temperature of one of the thermal baths does not necessarily help to safeguard the entanglement between the oscillators. Indeed, quantum entanglement will disappear if any one of the thermal baths has a temperature higher than the critical temperature T c, defined as the temperature above which quantum entanglement vanishes. With the Langevin equations derived we give a full display of how entanglement dynamics in this system depends on T 1, T 2, the inter-oscillator coupling and the system-bath coupling strengths. For weak oscillator-bath coupling the critical temperature T c is about the order of the inverse oscillator frequency, but for strong oscillator-bath coupling it will depend on the bath cutoff frequency. We conclude that in most realistic circumstances, for bosonic systems in NESS with constant bilinear coupling, `hot entanglement' is largely a fiction.

  20. An Alternative Approach to Quantum Statistics,

    DTIC Science & Technology

    1983-06-21

    by block wsimb-’r)9 " Quantum Statistics, Fermi -Dirac, Bose-Einstein __j_ __ _ _ __ _ _ _ L _ 20. AE’STYRCT (Continue on roeraisde It nocosaary and...identify by block numbor) The Fermi -Dirac, Bose-Einstein and, for completeness the ri1axw~ell-Boltzniant’ C-1" distributions are obtained respectively...D.C. 20375 and A. K. Rajagopal Department of Physics and Astronomy, Louisiana State University Baton Rouge, LA 70803-4001 Abstract The Fermi -Dirac

  1. Unfolding single RNA molecules: bridging the gap between equilibrium and non-equilibrium statistical thermodynamics.

    PubMed

    Bustamante, Carlos

    2005-11-01

    During the last 15 years, scientists have developed methods that permit the direct mechanical manipulation of individual molecules. Using this approach, they have begun to investigate the effect of force and torque in chemical and biochemical reactions. These studies span from the study of the mechanical properties of macromolecules, to the characterization of molecular motors, to the mechanical unfolding of individual proteins and RNA. Here I present a review of some of our most recent results using mechanical force to unfold individual molecules of RNA. These studies make it possible to follow in real time the trajectory of each molecule as it unfolds and characterize the various intermediates of the reaction. Moreover, if the process takes place reversibly it is possible to extract both kinetic and thermodynamic information from these experiments at the same time that we characterize the forces that maintain the three-dimensional structure of the molecule in solution. These studies bring us closer to the biological unfolding processes in the cell as they simulate in vitro, the mechanical unfolding of RNAs carried out in the cell by helicases. If the unfolding process occurs irreversibly, I show here that single-molecule experiments can still provide equilibrium, thermodynamic information from non-equilibrium data by using recently discovered fluctuation theorems. Such theorems represent a bridge between equilibrium and non-equilibrium statistical mechanics. In fact, first derived in 1997, the first experimental demonstration of the validity of fluctuation theorems was obtained by unfolding mechanically a single molecule of RNA. It is perhaps a sign of the times that important physical results are these days used to extract information about biological systems and that biological systems are being used to test and confirm fundamental new laws in physics.

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

    PubMed

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

    2017-04-28

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

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

    PubMed Central

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

    2017-01-01

    In this Introduction, we show the basic problems of non-statistical and non-equilibrium phenomena related to the papers collected in this themed issue. Over the past few years, significant advances in both computing power and development of theories have allowed the study of larger systems, increasing the time length of simulations and improving the quality of potential energy surfaces. In particular, the possibility of using quantum chemistry to calculate energies and forces ‘on the fly’ has paved the way to directly study chemical reactions. This has provided a valuable tool to explore molecular mechanisms at given temperatures and energies and to see whether these reactive trajectories follow statistical laws and/or minimum energy pathways. This themed issue collects different aspects of the problem and gives an overview of recent works and developments in different contexts, from the gas phase to the condensed phase to excited states. This article is part of the themed issue ‘Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces’. PMID:28320909

  4. Negentropy as a source of efficiency: a nonequilibrium quantum Otto cycle

    NASA Astrophysics Data System (ADS)

    Li, Hai; Zou, Jian; Yu, Wen-Li; Li, Lin; Xu, Bao-Ming; Shao, Bin

    2013-07-01

    We consider a single quantum mechanical particle confined to an one-dimensional (1D) infinite square well, and propose a nonequilibrium quantum Otto cycle (NQOC). Compared with the conventional quantum Otto engine (CQOE) investigated by [T.D. Kieu, Phys. Rev. Lett. 93, 140403 (2004); T.D. Kieu, Eur. Phys. J. D 39, 115 (2006)], due to the effects of negentropy produced in the NQOC, many interesting features appear: (1) in general, the NQOC is capable of extracting more work, so it is more efficient; (2) the NQOC can operate even when T 1 = T 2 or T 1 < T 2, where T 1 ( T 2) represents the temperature of hot (cold) bath; (3) in some cases, the NQOC can absorb heat from both baths and completely transforms them into work. These results demonstrate that the negentropy can be understood as an effective source of efficiency in quantum heat engines (QHEs) and meanwhile it is shown that the second law of thermodynamics is not violated. At last, we also show that the efficiency of NQOC reduces to that of classical Otto cycle in the classical limit.

  5. Statistics of Quantum Turbulence in Superfluid He

    NASA Astrophysics Data System (ADS)

    L'vov, V. S.; Pomyalov, A.

    2016-11-01

    Based on our current understanding of statistics of quantum turbulence as well as on results of intensive ongoing analytical, numerical and experimental studies, we overview here the following problems in the large-scale, space-homogeneous, steady-state turbulence of superfluid ^4 He and ^3 He: (1) energy spectra of normal and superfluid velocity components; (2) cross-correlation function of normal and superfluid velocities; (3) energy dissipation by mutual friction and viscosity; (4) energy exchange between normal and superfluid components; (5) high-order statistics and intermittency effects. The statistical properties are discussed for turbulence in different types of flows: coflow of ^4 He; turbulent ^3 He with the laminar normal fluid; pure superflow and counterflow in ^4 He.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  7. Exact results in nonequilibrium statistical mechanics: Formalism and applications in chemical kinetics and single-molecule free energy estimation

    NASA Astrophysics Data System (ADS)

    Adib, Artur B.

    In the last two decades or so, a collection of results in nonequilibrium statistical mechanics that departs from the traditional near-equilibrium framework introduced by Lars Onsager in 1931 has been derived, yielding new fundamental insights into far-from-equilibrium processes in general. Apart from offering a more quantitative statement of the second law of thermodynamics, some of these results---typified by the so-called "Jarzynski equality"---have also offered novel means of estimating equilibrium quantities from nonequilibrium processes, such as free energy differences from single-molecule "pulling" experiments. This thesis contributes to such efforts by offering three novel results in nonequilibrium statistical mechanics: (a) The entropic analog of the Jarzynski equality; (b) A methodology for estimating free energies from "clamp-and-release" nonequilibrium processes; and (c) A directly measurable symmetry relation in chemical kinetics similar to (but more general than) chemical detailed balance. These results share in common the feature of remaining valid outside Onsager's near-equilibrium regime, and bear direct applicability in protein folding kinetics as well as in single-molecule free energy estimation.

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  9. A Cartesian quasi-classical model to nonequilibrium quantum transport: the Anderson impurity model.

    PubMed

    Li, Bin; Levy, Tal J; Swenson, David W H; Rabani, Eran; Miller, William H

    2013-03-14

    We apply the recently proposed quasi-classical approach for a second quantized many-electron Hamiltonian in Cartesian coordinates [B. Li and W. H. Miller, J. Chem. Phys. 137, 154107 (2012)] to correlated nonequilibrium quantum transport. The approach provides accurate results for the resonant level model for a wide range of temperatures, bias, and gate voltages, correcting the flaws of our recently proposed mapping using action-angle variables. When electron-electron interactions are included, a Gaussian function scheme is required to map the two-electron integrals, leading to quantitative results for the Anderson impurity model. In particular, we show that the current mapping is capable of capturing quantitatively the Coulomb blockade effect and the temperature dependence of the current below and above the blockade.

  10. Universal Features of the Nonequilibrium Dynamics of Many-Body Quantum Systems

    NASA Astrophysics Data System (ADS)

    Santos, Lea; Torres-Herrera, Eduardo

    2014-05-01

    We describe the nonequilibrium dynamics of isolated quantum systems with two-body interactions. In these systems, the energy shell is a Gaussian of width σ and it gives the maximum possible spreading of the energy distribution of any initial state. When the distribution achieves this shape, the fidelity decay is Gaussian until saturation. This establishes a lower bound for the fidelity decay in realistic systems. We find excellent agreement between our numerics and the analytical expression for the fidelity. We also provide the general conditions under which the short-time dynamics of few-body observables is controlled by σ. The analyses are developed for systems, initial states, and observables accessible to experiments with cold atoms in optical lattices. This work was supported by the NSF grant No. DMR-1147430 and CONACyT, Mexico.

  11. Emergence of currents as a transient quantum effect in nonequilibrium systems

    SciTech Connect

    Granot, Er'el; Marchewka, Avi

    2011-09-15

    Most current calculations are based on equilibrium or semi-equilibrium models. However, except for very special scenarios (like ring configuration), the current cannot exist in equilibrium. Moreover, unlike with equilibrium scenarios, there is no generic approach to confront out-of-equilibrium currents. In this paper we used recent studies on transient quantum mechanics to solve the current, which appears in the presence of very high density gradients and fast transients. It shows that the emerging current appears instantaneously, and although the density beyond the discontinuity is initially negligible the currents there have a finite value, and remain constant for a finite period. It is shown that this nonequilibrium effect can be measured in real experiments (such as cooled rubidium atoms), where the discontinuity is replaced with a finite width (hundreds of nanometers) gradient.

  12. Nonequilibrium Kondo transport through a quantum dot in a magnetic field

    NASA Astrophysics Data System (ADS)

    Smirnov, Sergey; Grifoni, Milena

    2013-07-01

    We analyze the universal transport properties of a strongly interacting quantum dot in the Kondo regime when the quantum dot is placed in an external magnetic field. The quantum dot is described by the asymmetric Anderson model with the spin degeneracy removed by the magnetic field resulting in Zeeman splitting. Using an analytical expression for the tunneling density of states found from a Keldysh effective field theory, we obtain in the whole energy range the universal differential conductance and analytically demonstrate its Fermi-liquid and logarithmic behavior at low and high energies, respectively, as a function of the magnetic field. We also show results on the zero-temperature differential conductance as a function of the bias voltage at different magnetic fields as well as results on finite-temperature effects out of equilibrium and at a finite magnetic field. The modern nonequilibrium experimental issues of the critical magnetic field, at which the zero bias maximum of the differential conductance starts to split into two maxima, as well as the distance between these maxima as a function of the magnetic field, are also addressed.

  13. Nonequilibrium Green's functions theory for the alpha factor of quantum cascade lasers (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Pereira, Mauro F.; Winge, David O.; Wacker, Andreas; Jumpertz, Louise; Michel, Florian; Pawlus, Robert; Elsaesser, Wolfgang E.; Schires, Kevin; Carras, Mathieu; Grillot, Frédéric

    2016-10-01

    The linewidth of a conventional laser is due to fluctuations in the laser field due to spontaneous emission and described by the Schalow-Townes formula. In addition to that, in a semiconductor laser there is a contribution arising from fluctuations in the refractive index induced by carrier density fluctuations. The later are quantitatively described by the linewidth enhancement or alpha factor [C. H. Henry, IEEE J. Quantum Electron. 18 (2), 259 (1982), W. W. Chow, S. W. Koch and M. Sargent III, Semiconductor-Laser Physics, Springer-Verlag (1994), M.F. Pereira Jr et al, J. Opt. Soc. Am. B10, 765 (1993). In this paper we investigate the alpha factor of quantum cascade lasers under actual operating conditions using the Nonequilibrium Greens Functions approach [A. Wacker et a, IEEE Journal of Sel. Top. in Quantum Electron.,19 1200611, (2013), T. Schmielau and M.F. Pereira, Appl. Phys. Lett. 95 231111, (2009)]. The simulations are compared with recent results obtained with different optical feedback techniques [L. Jumpertz et al, AIP ADVANCES 6, 015212 (2016)].

  14. Quantum versus classical foundation of statistical mechanics under experimentally realistic conditions.

    PubMed

    Reimann, Peter; Evstigneev, Mykhaylo

    2013-11-01

    Focusing on isolated macroscopic systems, described in terms of either a quantum mechanical or a classical model, our two key questions are how far does an initial ensemble (usually far from equilibrium and largely unknown in detail) evolve towards a stationary long-time behavior (equilibration) and how far is this steady state in agreement with the microcanonical ensemble as predicted by statistical mechanics (thermalization). A recently developed quantum mechanical treatment of the problem is briefly summarized, putting particular emphasis on the realistic modeling of experimental measurements and nonequilibrium initial conditions. Within this framework, equilibration can be proven under very weak assumptions about those measurements and initial conditions, while thermalization still requires quite strong additional hypotheses. An analogous approach within the framework of classical mechanics is developed and compared with the quantum case. In particular, the assumptions to guarantee classical equilibration are now rather strong, while thermalization then follows under relatively weak additional conditions.

  15. Quantum vacuum fluctuations in presence of dissipative bodies: Dynamical approach for nonequilibrium and squeezed states

    NASA Astrophysics Data System (ADS)

    Rubio López, Adrián E.

    2017-01-01

    The present work contributes to the study of nonequilibrium aspects of the Casimir forces with the introduction of squeezed states in the calculations. Throughout this article two main results can be found, being both strongly correlated. Primarily, the more formal result involves the development of a first-principles canonical quantization formalism to study the quantum vacuum in the presence of different dissipative material bodies in completely general scenarios. For this purpose, we consider a one-dimensional quantum scalar field interacting with the volume elements' degrees of freedom of the material bodies, which are modeled as a set of composite systems consisting of quantum harmonic oscillators interacting with an environment (provided as an infinite set of quantum harmonic oscillators acting as a thermal bath). Solving the full dynamics of the composite system through its Heisenberg equations, we study each contribution to the field operator by employing general properties of the Green function. We deduce the long-time limit of the contributions to the field operator. In agreement with previous works, we show that the expectation values of the components of the energy-momentum tensor present two contributions, one associated to the thermal baths and the other one associated to the field's initial conditions. This allows the direct study of steady situations involving different initial states for the field (keeping arbitrary thermal states for the baths). This leads to the other main result, consisting of computing the Casimir force when the field is initially in thermal or continuum-single-mode squeezed states (the latter being characterized by a given bandwidth and frequency). Time averaging is required for the squeezed case, showing that both results can be given in a unified way, while for the thermal state, all the well-known equilibrium results can be successfully reproduced. Finally, we compared the initial conditions' contribution and the total

  16. Nonrenewal statistics in transport through quantum dots

    NASA Astrophysics Data System (ADS)

    Ptaszyński, Krzysztof

    2017-01-01

    The distribution of waiting times between successive tunneling events is an already established method to characterize current fluctuations in mesoscopic systems. Here, I investigate mechanisms generating correlations between subsequent waiting times in two model systems, a pair of capacitively coupled quantum dots and a single-level dot attached to spin-polarized leads. Waiting time correlations are shown to give insight into the internal dynamics of the system; for example they allow distinction between different mechanisms of the noise enhancement. Moreover, the presence of correlations breaks the validity of the renewal theory. This increases the number of independent cumulants of current fluctuation statistics, thus providing additional sources of information about the transport mechanism. I also propose a method for inferring the presence of waiting time correlations based on low-order current correlation functions. This method gives a way to extend the analysis of nonrenewal current fluctuations to the systems for which single-electron counting is not experimentally feasible. The experimental relevance of the findings is also discussed; for example reanalysis of previous results concerning transport in quantum dots is suggested.

  17. Nonequilibrium statistical mechanics of shear flow: invariant quantities and current relations

    NASA Astrophysics Data System (ADS)

    Baule, A.; Evans, R. M. L.

    2010-03-01

    In modeling nonequilibrium systems one usually starts with a definition of the microscopic dynamics, e.g., in terms of transition rates, and then derives the resulting macroscopic behavior. We address the inverse question for a class of steady state systems, namely complex fluids under continuous shear flow: how does an externally imposed shear current affect the microscopic dynamics of the fluid? The answer can be formulated in the form of invariant quantities, exact relations for the transition rates in the nonequilibrium steady state, as discussed in a recent letter (Baule and Evans, 2008 Phys. Rev. Lett. 101 240601). Here, we present a more pedagogical account of the invariant quantities and the theory underlying them, known as the nonequilibrium counterpart to detailed balance (NCDB). Furthermore, we investigate the relationship between the transition rates and the shear current in the steady state. We show that a fluctuation relation of the Gallavotti-Cohen type holds for systems satisfying NCDB.

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

    PubMed

    Zhang, Zhedong; Wang, Jin; Zhang, Z D; Wang, J

    2014-06-28

    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

  19. Fluctuation relation, fluctuation theorem, thermostats and entropy creation in nonequilibrium statistical physics

    NASA Astrophysics Data System (ADS)

    Gallavotti, Giovanni

    2007-06-01

    A unified viewpoint is presented in the margin to the Conference "Work, dissipation and fluctuations in nonequilibrium physics" Bruxelles 22-25 March, 2006, where the topics were discussed by various authors and it became clear the need that the very different viewpoints be consistently presented by their proponents. To cite this article: G. Gallavotti, C. R. Physique 8 (2007).

  20. Extracting Quantum Work Statistics and Fluctuation Theorems by Single-Qubit Interferometry

    NASA Astrophysics Data System (ADS)

    Dorner, R.; Clark, S. R.; Heaney, L.; Fazio, R.; Goold, J.; Vedral, V.

    2013-06-01

    We propose an experimental scheme to verify the quantum nonequilibrium fluctuation relations using current technology. Specifically, we show that the characteristic function of the work distribution for a nonequilibrium quench of a general quantum system can be extracted by Ramsey interferometry of a single probe qubit. Our scheme paves the way for the full characterization of nonequilibrium processes in a variety of quantum systems, ranging from single particles to many-body atomic systems and spin chains. We demonstrate our idea using a time-dependent quench of the motional state of a trapped ion, where the internal pseudospin provides a convenient probe qubit.

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

    NASA Astrophysics Data System (ADS)

    Li, Guanchen; Al-Abbasi, Omar; von Spakovsky, Michael R.

    2014-10-01

    This paper outlines an atomistic-level framework for modeling the non-equilibrium behavior of chemically reactive systems. The framework called steepest- entropy-ascent quantum thermodynamics (SEA-QT) is based on the paradigm of intrinsic quantum thermodynamic (IQT), which is a theory that unifies quantum mechanics and thermodynamics into a single discipline with wide applications to the study of non-equilibrium phenomena at the atomistic level. SEA-QT is a novel approach for describing the state of chemically reactive systems as well as the kinetic and dynamic features of the reaction process without any assumptions of near-equilibrium states or weak-interactions with a reservoir or bath. Entropy generation is the basis of the dissipation which takes place internal to the system and is, thus, the driving force of the chemical reaction(s). The SEA-QT non-equilibrium model is able to provide detailed information during the reaction process, providing a picture of the changes occurring in key thermodynamic properties (e.g., the instantaneous species concentrations, entropy and entropy generation, reaction coordinate, chemical affinities, reaction rate, etc). As an illustration, the SEA-QT framework is applied to an atomistic-level chemically reactive system governed by the reaction mechanism F + H2 leftrightarrow FH + H.

  2. Toward a Multi-scale Phase Transition Kinetics Methodology: From Non-Equilibrium Statistical Mechanics to Hydrodynamics

    NASA Astrophysics Data System (ADS)

    Belof, Jonathan; Orlikowski, Daniel; Wu, Christine; McLaughlin, Keith

    2013-06-01

    Shock and ramp compression experiments are allowing us to probe condensed matter under extreme conditions where phase transitions and other non-equilibrium aspects can now be directly observed, but first principles simulation of kinetics remains a challenge. A multi-scale approach is presented here, with non-equilibrium statistical mechanical quantities calculated by molecular dynamics (MD) and then leveraged to inform a classical nucleation and growth kinetics model at the hydrodynamic scale. Of central interest is the free energy barrier for the formation of a critical nucleus, with direct NEMD presenting the challenge of relatively long timescales necessary to resolve nucleation. Rather than attempt to resolve the time-dependent nucleation sequence directly, the methodology derived here is built upon the non-equilibrium work theorem in order to bias the formation of a critical nucleus and thus construct the nucleation and growth rates. Having determined these kinetic terms from MD, a hydrodynamics implementation of Kolmogorov-Johnson-Mehl-Avrami (KJMA) kinetics and metastabilty is applied to the dynamic compressive freezing of water and compared with recent ramp compression experiments [Dolan et al., Nature (2007)] Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344.

  3. Real-time simulation of nonequilibrium transport of magnetization in large open quantum spin systems driven by dissipation

    NASA Astrophysics Data System (ADS)

    Banerjee, D.; Hebenstreit, F.; Jiang, F.-J.; Wiese, U.-J.

    2015-09-01

    Using quantum Monte Carlo, we study the nonequilibrium transport of magnetization in large open strongly correlated quantum spin-1/2 systems driven by purely dissipative processes that conserve the uniform or staggered magnetization, disregarding unitary Hamiltonian dynamics. We prepare both a low-temperature Heisenberg ferromagnet and an antiferromagnet in two parts of the system that are initially isolated from each other. We then bring the two subsystems in contact and study their real-time dissipative dynamics for different geometries. The flow of the uniform or staggered magnetization from one part of the system to the other is described by a diffusion equation that can be derived analytically.

  4. Quantum statistical effects on fusion dynamics of heavy ions

    SciTech Connect

    Ayik, S.; Yilmaz, B.; Gokalp, A.; Yilmaz, O.; Takigawa, N.

    2005-05-01

    To describe the fusion of two very heavy nuclei at near barrier energies, a generalized Langevin approach is proposed. The approach incorporates the quantum statistical fluctuations in accordance with the fluctuation and dissipation theorem. It is illustrated that the quantum statistical effects introduce an enhancement of the formation of a compound nucleus, though the quantum enhancement is somewhat less pronounced as indicated in the previous calculations.

  5. Quantum speed limits of a qubit system interacting with a nonequilibrium environment

    NASA Astrophysics Data System (ADS)

    He, Zhi; Yao, Chun-Mei; Li, Li; Wang, Qiong

    2016-08-01

    The speed of evolution of a qubit undergoing a nonequilibrium environment with spectral density of general ohmic form is investigated. First we reveal non-Markovianity of the model, and find that the non-Markovianity quantified by information backflow of Breuer et al. [Phys. Rev. Lett. 103 210401 (2009)] displays a nonmonotonic behavior for different values of the ohmicity parameter s in fixed other parameters and the maximal non-Markovianity can be achieved at a specified value s. We also find that the non-Markovianity displays a nonmonotonic behavior with the change of a phase control parameter. Then we further discuss the relationship between quantum speed limit (QSL) time and non-Markovianity of the open-qubit system for any initial states including pure and mixed states. By investigation, we find that the QSL time of a qubit with any initial states can be expressed by a simple factorization law: the QSL time of a qubit with any qubit-initial states are equal to the product of the coherence of the initial state and the QSL time of maximally coherent states, where the QSL time of the maximally coherent states are jointly determined by the non-Markovianity, decoherence factor and a given driving time. Moreover, we also find that the speed of quantum evolution can be obviously accelerated in the wide range of the ohmicity parameter, i.e., from sub-Ohmic to Ohmic and super-Ohmic cases, which is different from the thermal equilibrium environment case. Project supported by the National Natural Science Foundation of China (Grants Nos. 61505053 and 61475045), the Natural Science Foundation of Hunan Province, China(Grant No. 2015JJ3092), the School Foundation from the Hunan University of Arts and Science (Grant No. 14ZD01), the Fund from the Key Laboratory of Photoelectric Information Integration and Optical Manufacturing Technology of Hunan Province, China, and the Construction Program of the Key Discipline in Hunan University of Arts and Science (Optics).

  6. Switchable particle statistics with an embedding quantum simulator

    NASA Astrophysics Data System (ADS)

    Cheng, Xiao-Hang; Arrazola, Iñigo; Pedernales, Julen S.; Lamata, Lucas; Chen, Xi; Solano, Enrique

    2017-02-01

    We propose the implementation of a switch of particle statistics with an embedding quantum simulator. By encoding both Bose-Einstein and Fermi-Dirac statistics into an enlarged Hilbert space, the statistics of the simulated quantum particles may be changed in situ during the time evolution, from bosons to fermions and from fermions to bosons, as many times as desired before a measurement is performed. We illustrate our proposal with few-qubit examples, although the protocol is straightforwardly extendable to larger numbers of particles. This proposal can be implemented on different quantum platforms such as trapped ions, quantum photonics, and superconducting circuits, among others. The possibility to implement permutation symmetrization and antisymmetrization of quantum particles enhances the toolbox of quantum simulations for unphysical operations as well as for symmetry transformations.

  7. Nonequilibrium transport on a quantum molecular chain in terms of the complex Liouvillian spectrum.

    PubMed

    Tanaka, Satoshi; Kanki, Kazuki; Petrosky, Tomio

    2011-05-01

    The transport process in a molecular chain in a nonequilibrium stationary state is theoretically investigated. The molecule is interacting at both ends with thermal baths of different temperatures, while no dissipation mechanism is contained inside the molecular chain. We have first obtained the nonequilibrium stationary state outside the Hilbert space in terms of the complex spectral representation of Liouvillian. The nonequilibrium stationary state is obtained as an eigenstate of the Liouvillian, which is constructed through the collision invariant of the kinetic equation. The eigenstate of the Liouvillian contains information on the spatial correlation between the molecular chain and the thermal baths. While energy flow in the nonequilibrium state which is due to the first-order correlation can be described by the Landauer formula, the particle current due to the second-order correlation cannot be described by the Landauer formula. The present method provides a simple way to evaluate the energy transport in a molecular chain in a nonequilibrium situation.

  8. Statistical mechanics of quantum-classical systems with holonomic constraints.

    PubMed

    Sergi, Alessandro

    2006-01-14

    The statistical mechanics of quantum-classical systems with holonomic constraints is formulated rigorously by unifying the classical Dirac bracket and the quantum-classical bracket in matrix form. The resulting Dirac quantum-classical theory, which conserves the holonomic constraints exactly, is then used to formulate time evolution and statistical mechanics. The correct momentum-jump approximation for constrained systems arises naturally from this formalism. Finally, in analogy with what was found in the classical case, it is shown that the rigorous linear-response function of constrained quantum-classical systems contains nontrivial additional terms which are absent in the response of unconstrained systems.

  9. Quantum approach to classical statistical mechanics.

    PubMed

    Somma, R D; Batista, C D; Ortiz, G

    2007-07-20

    We present a new approach to study the thermodynamic properties of d-dimensional classical systems by reducing the problem to the computation of ground state properties of a d-dimensional quantum model. This classical-to-quantum mapping allows us to extend the scope of standard optimization methods by unifying them under a general framework. The quantum annealing method is naturally extended to simulate classical systems at finite temperatures. We derive the rates to assure convergence to the optimal thermodynamic state using the adiabatic theorem of quantum mechanics. For simulated and quantum annealing, we obtain the asymptotic rates of T(t) approximately (pN)/(k(B)logt) and gamma(t) approximately (Nt)(-c/N), for the temperature and magnetic field, respectively. Other annealing strategies are also discussed.

  10. Spin Glass a Bridge Between Quantum Computation and Statistical Mechanics

    NASA Astrophysics Data System (ADS)

    Ohzeki, Masayuki

    2013-09-01

    In this chapter, we show two fascinating topics lying between quantum information processing and statistical mechanics. First, we introduce an elaborated technique, the surface code, to prepare the particular quantum state with robustness against decoherence. Interestingly, the theoretical limitation of the surface code, accuracy threshold, to restore the quantum state has a close connection with the problem on the phase transition in a special model known as spin glasses, which is one of the most active researches in statistical mechanics. The phase transition in spin glasses is an intractable problem, since we must strive many-body system with complicated interactions with change of their signs depending on the distance between spins. Fortunately, recent progress in spin-glass theory enables us to predict the precise location of the critical point, at which the phase transition occurs. It means that statistical mechanics is available for revealing one of the most interesting parts in quantum information processing. We show how to import the special tool in statistical mechanics into the problem on the accuracy threshold in quantum computation. Second, we show another interesting technique to employ quantum nature, quantum annealing. The purpose of quantum annealing is to search for the most favored solution of a multivariable function, namely optimization problem. The most typical instance is the traveling salesman problem to find the minimum tour while visiting all the cities. In quantum annealing, we introduce quantum fluctuation to drive a particular system with the artificial Hamiltonian, in which the ground state represents the optimal solution of the specific problem we desire to solve. Induction of the quantum fluctuation gives rise to the quantum tunneling effect, which allows nontrivial hopping from state to state. We then sketch a strategy to control the quantum fluctuation efficiently reaching the ground state. Such a generic framework is called

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

    SciTech Connect

    Lindskog, M. Wacker, A.; Wolf, J. M.; Liverini, V.; Faist, J.; Trinite, V.; Maisons, G.; Carras, M.; Aidam, R.; Ostendorf, R.

    2014-09-08

    We study the operation of an 8.5 μm 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.

  12. Universality in spectral statistics of open quantum graphs

    NASA Astrophysics Data System (ADS)

    Gutkin, B.; Osipov, V. Al.

    2015-06-01

    The quantum evolution maps of closed chaotic quantum graphs are unitary and known to have universal spectral correlations matching predictions of random matrix theory. In chaotic graphs with absorption the quantum maps become nonunitary. We show that their spectral statistics exhibit universality at the soft edges of the spectrum. The same spectral behavior is observed in many classical nonunitary ensembles of random matrices with rotationally invariant measures.

  13. Non-equilibrium Green's function calculation for GaN-based terahertz-quantum cascade laser structures

    NASA Astrophysics Data System (ADS)

    Yasuda, H.; Kubis, T.; Hosako, I.; Hirakawa, K.

    2012-04-01

    We theoretically investigated GaN-based resonant phonon terahertz-quantum cascade laser (QCL) structures for possible high-temperature operation by using the non-equilibrium Green's function method. It was found that the GaN-based THz-QCL structures do not necessarily have a gain sufficient for lasing, even though the thermal backfilling and the thermally activated phonon scattering are effectively suppressed. The main reason for this is the broadening of the subband levels caused by a very strong interaction between electrons and longitudinal optical (LO) phonons in GaN.

  14. Construction of traveling clusters in the Hamiltonian mean-field model by nonequilibrium statistical mechanics and Bernstein-Greene-Kruskal waves.

    PubMed

    Yamaguchi, Yoshiyuki Y

    2011-07-01

    Traveling clusters are ubiquitously observed in the Hamiltonian mean-field model for a wide class of initial states, which are not predicted to become spatially inhomogeneous states by nonequilibrium statistical mechanics and by nonlinear Landau damping. To predict such a cluster state from a given initial state, we combine nonequilibrium statistical mechanics and a construction method of Bernstein-Greene-Kruskal (BGK) waves with the aid of phenomenological assumptions. The phenomenological theory is partially successful, and the theoretically constructed cluster states are in good agreement with N-body simulations. Robustness of the theory is also discussed for unsuccessful initial states.

  15. Universal spectral statistics in quantum graphs.

    PubMed

    Gnutzmann, Sven; Altland, Alexander

    2004-11-05

    We prove that the spectrum of an individual chaotic quantum graph shows universal spectral correlations, as predicted by random-matrix theory. The stability of these correlations with regard to nonuniversal corrections is analyzed in terms of the linear operator governing the classical dynamics on the graph.

  16. Quantum disorder, duality, and fractional statistics in 2 + 1 dimensions

    NASA Technical Reports Server (NTRS)

    Wen, X. G.; Zee, A.

    1989-01-01

    A low-energy equivalence between two apparently unrelated Lagrangians with fractional statistics is reported. Exploiting this equivalence, it is possible to study the quantum disordered phase of the nonlinear sigma model with Hopf term. It is found that the quasi-particles in the disordered phase also have fractional statistics. There appears to be a dual relationship between the ordered and disordered phases.

  17. Nonequilibrium noise in transport across a tunneling contact between ν =2/3 fractional quantum Hall edges

    NASA Astrophysics Data System (ADS)

    Shtanko, O.; Snizhko, K.; Cheianov, V.

    2014-03-01

    In a recent experimental paper [Bid et al., Nature 466, 585 (2010), 10.1038/nature09277] a qualitative confirmation of the existence of upstream neutral modes at the ν =2/3 quantum Hall edge was reported. Using the chiral Luttinger liquid theory of the quantum Hall edge we develop a quantitative model of the experiment of Bid et al. A good quantitative agreement of our theory with the experimental data reinforces the conclusion of the existence of the upstream neutral mode. Our model also enables us to extract important quantitative information about nonequilibrium processes in Ohmic and tunneling contacts from the experimental data. In particular, for ν =2/3, we find a power-law dependence of the neutral mode temperature on the charge current injected from the Ohmic contact.

  18. Cold Atoms, Statistical Physics and Quantum Simulations

    DTIC Science & Technology

    2010-07-22

    to be the development of robust theoretical techniques for the simulations of ultra-cold Bose gases and other quantum phenomena, such theoretical...finite-temperature effects in atom-chip interferometry of Bose -Einstein condensates, R. G. Scott, et al., Physical Review A, 063624 (2009). A copy of...March 2009. Mr Hodder was supported through a University of Otago Scholarship. He initially developed a simple single-site Hubbard model, which can be

  19. Lindblad-driven discretized leads for nonequilibrium steady-state transport in quantum impurity models: Recovering the continuum limit

    NASA Astrophysics Data System (ADS)

    Schwarz, F.; Goldstein, M.; Dorda, A.; Arrigoni, E.; Weichselbaum, A.; von Delft, J.

    2016-10-01

    The description of interacting quantum impurity models in steady-state nonequilibrium is an open challenge for computational many-particle methods: the numerical requirement of using a finite number of lead levels and the physical requirement of describing a truly open quantum system are seemingly incompatible. One possibility to bridge this gap is the use of Lindblad-driven discretized leads (LDDL): one couples auxiliary continuous reservoirs to the discretized lead levels and represents these additional reservoirs by Lindblad terms in the Liouville equation. For quadratic models governed by Lindbladian dynamics, we present an elementary approach for obtaining correlation functions analytically. In a second part, we use this approach to explicitly discuss the conditions under which the continuum limit of the LDDL approach recovers the correct representation of thermal reservoirs. As an analytically solvable example, the nonequilibrium resonant level model is studied in greater detail. Lastly, we present ideas towards a numerical evaluation of the suggested Lindblad equation for interacting impurities based on matrix product states. In particular, we present a reformulation of the Lindblad equation, which has the useful property that the leads can be mapped onto a chain where both the Hamiltonian dynamics and the Lindblad driving are local at the same time. Moreover, we discuss the possibility to combine the Lindblad approach with a logarithmic discretization needed for the exploration of exponentially small energy scales.

  20. Statistical mechanics based on fractional classical and quantum mechanics

    SciTech Connect

    Korichi, Z.; Meftah, M. T.

    2014-03-15

    The purpose of this work is to study some problems in statistical mechanics based on the fractional classical and quantum mechanics. At first stage we have presented the thermodynamical properties of the classical ideal gas and the system of N classical oscillators. In both cases, the Hamiltonian contains fractional exponents of the phase space (position and momentum). At the second stage, in the context of the fractional quantum mechanics, we have calculated the thermodynamical properties for the black body radiation, studied the Bose-Einstein statistics with the related problem of the condensation and the Fermi-Dirac statistics.

  1. Quantum Correlations from the Conditional Statistics of Incomplete Data.

    PubMed

    Sperling, J; Bartley, T J; Donati, G; Barbieri, M; Jin, X-M; Datta, A; Vogel, W; Walmsley, I A

    2016-08-19

    We study, in theory and experiment, the quantum properties of correlated light fields measured with click-counting detectors providing incomplete information on the photon statistics. We establish a correlation parameter for the conditional statistics, and we derive the corresponding nonclassicality criteria for detecting conditional quantum correlations. Classical bounds for Pearson's correlation parameter are formulated that allow us, once they are violated, to determine nonclassical correlations via the joint statistics. On the one hand, we demonstrate nonclassical correlations in terms of the joint click statistics of light produced by a parametric down-conversion source. On the other hand, we verify quantum correlations of a heralded, split single-photon state via the conditional click statistics together with a generalization to higher-order moments. We discuss the performance of the presented nonclassicality criteria to successfully discern joint and conditional quantum correlations. Remarkably, our results are obtained without making any assumptions on the response function, quantum efficiency, and dark-count rate of photodetectors.

  2. Quantum Correlations from the Conditional Statistics of Incomplete Data

    NASA Astrophysics Data System (ADS)

    Sperling, J.; Bartley, T. J.; Donati, G.; Barbieri, M.; Jin, X.-M.; Datta, A.; Vogel, W.; Walmsley, I. A.

    2016-08-01

    We study, in theory and experiment, the quantum properties of correlated light fields measured with click-counting detectors providing incomplete information on the photon statistics. We establish a correlation parameter for the conditional statistics, and we derive the corresponding nonclassicality criteria for detecting conditional quantum correlations. Classical bounds for Pearson's correlation parameter are formulated that allow us, once they are violated, to determine nonclassical correlations via the joint statistics. On the one hand, we demonstrate nonclassical correlations in terms of the joint click statistics of light produced by a parametric down-conversion source. On the other hand, we verify quantum correlations of a heralded, split single-photon state via the conditional click statistics together with a generalization to higher-order moments. We discuss the performance of the presented nonclassicality criteria to successfully discern joint and conditional quantum correlations. Remarkably, our results are obtained without making any assumptions on the response function, quantum efficiency, and dark-count rate of photodetectors.

  3. Quantum Trajectories and Their Statistics for Remotely Entangled Quantum Bits

    NASA Astrophysics Data System (ADS)

    Chantasri, Areeya; Kimchi-Schwartz, Mollie E.; Roch, Nicolas; Siddiqi, Irfan; Jordan, Andrew N.

    2016-10-01

    We experimentally and theoretically investigate the quantum trajectories of jointly monitored transmon qubits embedded in spatially separated microwave cavities. Using nearly quantum-noise-limited superconducting amplifiers and an optimized setup to reduce signal loss between cavities, we can efficiently track measurement-induced entanglement generation as a continuous process for single realizations of the experiment. The quantum trajectories of transmon qubits naturally split into low and high entanglement classes. The distribution of concurrence is found at any given time, and we explore the dynamics of entanglement creation in the state space. The distribution exhibits a sharp cutoff in the high concurrence limit, defining a maximal concurrence boundary. The most-likely paths of the qubits' trajectories are also investigated, resulting in three probable paths, gradually projecting the system to two even subspaces and an odd subspace, conforming to a "half-parity" measurement. We also investigate the most-likely time for the individual trajectories to reach their most entangled state, and we find that there are two solutions for the local maximum, corresponding to the low and high entanglement routes. The theoretical predictions show excellent agreement with the experimental entangled-qubit trajectory data.

  4. Full counting statistics of quantum dot resonance fluorescence

    PubMed Central

    Matthiesen, Clemens; Stanley, Megan J.; Hugues, Maxime; Clarke, Edmund; Atatüre, Mete

    2014-01-01

    The electronic energy levels and optical transitions of a semiconductor quantum dot are subject to dynamics within the solid-state environment. In particular, fluctuating electric fields due to nearby charge traps or other quantum dots shift the transition frequencies via the Stark effect. The environment dynamics are mapped directly onto the fluorescence under resonant excitation and diminish the prospects of quantum dots as sources of indistinguishable photons in optical quantum computing. Here, we present an analysis of resonance fluorescence fluctuations based on photon counting statistics which captures the underlying time-averaged electric field fluctuations of the local environment. The measurement protocol avoids dynamic feedback on the electric environment and the dynamics of the quantum dot's nuclear spin bath by virtue of its resonant nature and by keeping experimental control parameters such as excitation frequency and external fields constant throughout. The method introduced here is experimentally undemanding. PMID:24810097

  5. Statistical Mechanics of Confined Quantum Particles

    NASA Astrophysics Data System (ADS)

    Bannur, Vishnu M.; Udayanandan, K. M.

    We develop statistical mechanics and thermodynamics of Bose and Fermi systems in relativistic harmonic oscillator (RHO) confining potential, which is applicable in quark gluon plasma (QGP), astrophysics, Bose-Einstein condensation (BEC) etc. Detailed study of QGP system is carried out and compared with lattice results. Furthermore, as an application, our equation of state (EoS) of QGP is used to study compact stars like quark star.

  6. Quantum statistics and allometric scaling of organisms

    NASA Astrophysics Data System (ADS)

    Demetrius, Lloyd

    2003-05-01

    This article proposes a mechanism to explain allometric relations between basal metabolic rate and the body size of organisms. The model postulates that energy transduction in biological organisms is constrained by two classes of dynamical processes: The first process has its origin in quantum mechanics and the constraints which the coupling of electron transport and proton translocation impose on metabolic activity. The second derives from evolutionary dynamics and the constraints which ecological and demographic forces impose on metabolic rate. These two processes are invoked to show that the scaling exponent between basal metabolic rate and body size follows a {3}/{4} rule, in the case of organisms subject to ecological constraints defined by scarce but dependable resources, and a {2}/{3} rule when constraints are defined by ample but only temporarily available resources. Our conclusions are based on general arguments incorporating the molecular mechanisms that determine metabolic activity at all levels of biological organization. Hence the model applies to uni-cellular organisms, plants and animals.

  7. Large deviation statistics of non-equilibrium fluctuations in a sheared model-fluid

    NASA Astrophysics Data System (ADS)

    Dolai, Pritha; Simha, Aditi

    2016-08-01

    We analyse the statistics of the shear stress in a one dimensional model fluid, that exhibits a rich phase behaviour akin to real complex fluids under shear. We show that the energy flux satisfies the Gallavotti-Cohen FT across all phases in the system. The theorem allows us to define an effective temperature which deviates considerably from the equilibrium temperature as the noise in the system increases. This deviation is negligible when the system size is small. The dependence of the effective temperature on the strain rate is phase-dependent. It doesn’t vary much at the phase boundaries. The effective temperature can also be determined from the large deviation function of the energy flux. The local strain rate statistics obeys the large deviation principle and satisfies a fluctuation relation. It does not exhibit a distinct kink near zero strain rate because of inertia of the rotors in our system.

  8. Statistical Quadrature Evolution for Continuous-Variable Quantum Key Distribution

    NASA Astrophysics Data System (ADS)

    Gyongyosi, Laszlo; Imre, Sandor

    2016-05-01

    We propose a statistical quadrature evolution (SQE) method for multicarrier continuous-variable quantum key distribution (CVQKD). A multicarrier CVQKD protocol utilizes Gaussian subcarrier quantum continuous variables (CV) for information transmission. The SQE framework provides a minimal error estimate of the quadratures of the CV quantum states from the discrete, measured noisy subcarrier variables. We define a method for the statistical modeling and processing of noisy Gaussian subcarrier quadratures. We introduce the terms statistical secret key rate and statistical private classical information, which quantities are derived purely by the statistical functions of our method. We prove the secret key rate formulas for a multiple access multicarrier CVQKD. The framework can be established in an arbitrary CVQKD protocol and measurement setting, and are implementable by standard low-complexity statistical functions, which is particularly convenient for an experimental CVQKD scenario. This work was partially supported by the GOP-1.1.1-11-2012-0092 project sponsored by the EU and European Structural Fund, by the Hungarian Scientific Research Fund - OTKA K-112125, and by the COST Action MP1006.

  9. Tunable photonic cavity coupled to a voltage-biased double quantum dot system: Diagrammatic nonequilibrium Green's function approach

    NASA Astrophysics Data System (ADS)

    Agarwalla, Bijay Kumar; Kulkarni, Manas; Mukamel, Shaul; Segal, Dvira

    2016-07-01

    We investigate gain in microwave photonic cavities coupled to voltage-biased double quantum dot systems with an arbitrarily strong dot-lead coupling and with a Holstein-like light-matter interaction, by employing the diagrammatic Keldysh nonequilibrium Green's function approach. We compute out-of-equilibrium properties of the cavity: its transmission, phase response, mean photon number, power spectrum, and spectral function. We show that by the careful engineering of these hybrid light-matter systems, one can achieve a significant amplification of the optical signal with the voltage-biased electronic system serving as a gain medium. We also study the steady-state current across the device, identifying elastic and inelastic tunneling processes which involve the cavity mode. Our results show how recent advances in quantum electronics can be exploited to build hybrid light-matter systems that behave as microwave amplifiers and photon source devices. The diagrammatic Keldysh approach is primarily discussed for a cavity-coupled double quantum dot architecture, but it is generalizable to other hybrid light-matter systems.

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

    PubMed Central

    Bhattacharyya, Sirshendu; Dasgupta, Subinay; Das, Arnab

    2015-01-01

    Understanding phase transitions in quantum matters constitutes a significant part of present day condensed matter physics. Quantum phase transitions concern ground state properties of many-body systems, and hence their signatures are expected to be pronounced in low-energy states. Here we report signature of a quantum critical point manifested in strongly out-of-equilibrium states with finite energy density with respect to the ground state and extensive (subsystem) entanglement entropy, generated by an external pulse. These non-equilibrium states are evidently completely disordered (e.g., paramagnetic in case of a magnetic ordering transition). The pulse is applied by switching a coupling of the Hamiltonian from an initial value (λI) to a final value (λF) for sufficiently long time and back again. The signature appears as non-analyticities (kinks) in the energy absorbed by the system from the pulse as a function of λF at critical-points (i.e., at values of λF corresponding to static critical-points of the system). As one excites higher and higher eigenstates of the final Hamiltonian H(λF) by increasing the pulse height , the non-analyticity grows stronger monotonically with it. This implies adding contributions from higher eigenstates help magnifying the non-analyticity, indicating strong imprint of the critical-point on them. Our findings are grounded on exact analytical results derived for Ising and XY chains in transverse field. PMID:26568306

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

    PubMed

    Bhattacharyya, Sirshendu; Dasgupta, Subinay; Das, Arnab

    2015-11-16

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

  12. Spectral-Lagrangian methods for collisional models of non-equilibrium statistical states

    SciTech Connect

    Gamba, Irene M. Tharkabhushanam, Sri Harsha

    2009-04-01

    We propose a new spectral Lagrangian based deterministic solver for the non-linear Boltzmann transport equation (BTE) in d-dimensions for variable hard sphere (VHS) collision kernels with conservative or non-conservative binary interactions. The method is based on symmetries of the Fourier transform of the collision integral, where the complexity in its computation is reduced to a separate integral over the unit sphere S{sup d-1}. The conservation of moments is enforced by Lagrangian constraints. The resulting scheme, implemented in free space, is very versatile and adjusts in a very simple manner to several cases that involve energy dissipation due to local micro-reversibility (inelastic interactions) or elastic models of slowing down process. Our simulations are benchmarked with available exact self-similar solutions, exact moment equations and analytical estimates for the homogeneous Boltzmann equation, both for elastic and inelastic VHS interactions. Benchmarking of the simulations involves the selection of a time self-similar rescaling of the numerical distribution function which is performed using the continuous spectrum of the equation for Maxwell molecules as studied first in Bobylev et al. [A.V. Bobylev, C. Cercignani, G. Toscani, Proof of an asymptotic property of self-similar solutions of the Boltzmann equation for granular materials, Journal of Statistical Physics 111 (2003) 403-417] and generalized to a wide range of related models in Bobylev et al. [A.V. Bobylev, C. Cercignani, I.M. Gamba, On the self-similar asymptotics for generalized non-linear kinetic Maxwell models, Communication in Mathematical Physics, in press. URL: ()]. The method also produces accurate results in the case of inelastic diffusive Boltzmann equations for hard spheres (inelastic collisions under thermal bath), where overpopulated non-Gaussian exponential tails have been conjectured in computations by stochastic methods [T.V. Noije, M. Ernst

  13. Quantum statistical mechanics of dense partially ionized hydrogen

    NASA Technical Reports Server (NTRS)

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

    1972-01-01

    The theory of dense hydrogen plasmas beginning with the two component quantum grand partition function is reviewed. It is shown that ionization equilibrium and molecular dissociation equilibrium can be treated in the same manner with proper consideration of all two-body states. A quantum perturbation expansion is used to give an accurate calculation of the equation of state of the gas for any degree of dissociation and ionization. The statistical mechanical calculation of the plasma equation of state is intended for stellar interiors. The general approach is extended to the calculation of the equation of state of the outer layers of large planets.

  14. Statistical measures of complexity for quantum systems with continuous variables

    NASA Astrophysics Data System (ADS)

    Manzano, D.

    2012-12-01

    The Fisher-Shannon statistical measure of complexity is analyzed for a continuous manifold of quantum observables. It is shown that evaluating this measure only in the configuration or in the momentum spaces does not provide an adequate characterization of the complexity of some quantum systems. In order to obtain a more complete description of complexity two new measures, respectively based on the minimization and the integration of the usual Fisher-Shannon measure over all the parameter space, are proposed and compared. Finally, these measures are applied to the concrete case of a free particle in a box.

  15. Thermodynamics of a statistically interacting quantum gas in D dimensions.

    PubMed

    Potter, Geoffrey G; Müller, Gerhard; Karbach, Michael

    2007-12-01

    We present the exact thermodynamics (isochores, isotherms, isobars, response functions) of a statistically interacting quantum gas in D dimensions. The results in D=1 are those of the thermodynamic Bethe ansatz for the nonlinear Schrödinger model, a gas with repulsive two-body contact potential. In all dimensions the ideal boson and fermion gases are recovered in the weak-coupling and strong-coupling limits, respectively. For all nonzero couplings ideal fermion gas behavior emerges for D>1 and, in the limit D-->infinity , a phase transition occurs at T>0 . Significant deviations from ideal quantum gas behavior are found for intermediate coupling and finite D .

  16. Extended hydrodynamic approach to quantum-classical nonequilibrium evolution. I. Theory.

    PubMed

    Bousquet, David; Hughes, Keith H; Micha, David A; Burghardt, Irene

    2011-02-14

    A mixed quantum-classical formulation is developed for a quantum subsystem in strong interaction with an N-particle environment, to be treated as classical in the framework of a hydrodynamic representation. Starting from the quantum Liouville equation for the N-particle distribution and the corresponding reduced single-particle distribution, exact quantum hydrodynamic equations are obtained for the momentum moments of the single-particle distribution coupled to a discretized quantum subsystem. The quantum-classical limit is subsequently taken and the resulting hierarchy of equations is further approximated by various closure schemes. These include, in particular, (i) a Grad-Hermite-type closure, (ii) a Gaussian closure at the level of a quantum-classical local Maxwellian distribution, and (iii) a dynamical density functional theory approximation by which the hydrodynamic pressure term is replaced by a free energy functional derivative. The latter limit yields a mixed quantum-classical formulation which has previously been introduced by I. Burghardt and B. Bagchi, Chem. Phys. 134, 343 (2006).

  17. Non-equilibrium quantum transport of spin-polarized electrons and back action on molecular magnet tunnel-junction

    NASA Astrophysics Data System (ADS)

    Zhang, Chao; Yao, Hui; Nie, Yi-Hang; Liang, J.-Q.

    2016-11-01

    We investigate the non-equilibrium quantum transport through a single-molecule magnet embedded in a tunnel junction with ferromagnetic electrodes, which generate spin-polarized electrons. The lead magnetization direction is non-collinear with the uniaxial anisotropy easy-axis of molecule-magnet. Based on the Pauli rate-equation approach we demonstrate the magnetization reversion of molecule-magnet induced by the back action of spin-polarized current in the sequential tunnel regime. The asymptotic magnetization of molecular magnet and spin-polarization of transport current are obtained as functions of time by means of time-dependent solution of the rate equation. It is found that the antiparallel configuration of the ferromagnetic electrodes and molecular anisotropy easy-axis is an effective structure to reverse both the magnetization of molecule-magnet and spin-polarization of the transport current. Particularly the non-collinear angle dependence provides useful knowledge for the quantum manipulation of molecule-magnet and spin polarized electron-transport.

  18. Magnetic-field-influenced nonequilibrium transport through a quantum ring with correlated electrons in a photon cavity

    NASA Astrophysics Data System (ADS)

    Arnold, Thorsten; Tang, Chi-Shung; Manolescu, Andrei; Gudmundsson, Vidar

    2013-01-01

    We investigate magnetic-field-influenced time-dependent transport of Coulomb interacting electrons through a two-dimensional quantum ring in an electromagnetic cavity under nonequilibrium conditions described by a time-convolutionless non-Markovian master equation formalism. We take into account the full electromagnetic interaction of electrons and cavity photons. A bias voltage is applied to semi-infinite leads along the x axis, which are connected to the quantum ring. The magnetic field is tunable to manipulate the time-dependent electron transport coupled to a photon field with either x or y polarization. We find that the lead-system-lead current is strongly suppressed by the y-polarized photon field at magnetic field with two flux quanta due to a degeneracy of the many-body energy spectrum of the mostly occupied states. On the other hand, the lead-system-lead current can be significantly enhanced by the y-polarized field at magnetic field with half-integer flux quanta. Furthermore, the y-polarized photon field perturbs the periodicity of the persistent current with the magnetic field and suppresses the magnitude of the persistent current. The spatial and temporal density distributions reflect the characteristics of the many-body spectrum. The vortex formation in the contact areas to the leads influences the charge circulation in the ring.

  19. Quantum statistics of optical parametric processes with squeezed reservoirs

    NASA Astrophysics Data System (ADS)

    Peřina, Jan; Křepelka, Jaromír

    2013-11-01

    Quantum statistics including joint photon-number and integrated-intensity probability distributions are derived in time evolution of general optical parametric process involving processes of frequency conversion, parametric amplification and subharmonic generation taking into account losses and noise described by squeezed reservoirs. Using these tools quantum entanglement of modes is considered and the other nonclassical properties of the process under discussion are demonstrated by means of conditional probability distributions and their Fano factors, difference-number probability distributions, quantum oscillations, squeezing of vacuum fluctuations and negative values of the joint and difference wave probability quasidistributions. Nonclassical properties are illustrated for spontaneous process as well as stimulated process by means of chaotic light and squeezed vacuum field. Multimode processes are investigated in the spirit of the Mandel-Rice photocount formula.

  20. Quench echo and work statistics in integrable quantum field theories.

    PubMed

    Pálmai, T; Sotiriadis, S

    2014-11-01

    We propose a boundary thermodynamic Bethe ansatz calculation technique to obtain the Loschmidt echo and the statistics of the work done when a global quantum quench is performed on an integrable quantum field theory. We derive an analytic expression for the lowest edge of the probability density function and find that it exhibits universal features, in the sense that its scaling form depends only on the statistics of excitations. We perform numerical calculations on the sinh-Gordon model, a deformation of the free boson theory, and we obtain that by turning on the interaction the density function develops fermionic properties. The calculations are facilitated by a previously unnoticed property of the thermodynamic Bethe ansatz construction.

  1. Non-Abelian statistics in the fractional quantum Hall states

    NASA Astrophysics Data System (ADS)

    Wen, X. G.

    1991-02-01

    The fractional quantum Hall states with non-Abelian statistics are studied. Those states are shown to be characterized by non-Abelian topological orders and are identified with some of the Jain states. The gapless edge states are found to be described by non-Abelian Kac-Moody algebras. It is argued that the topological orders and the associated properties are robust against any kinds of small perturbations.

  2. Interaction of a quantum well with squeezed light: Quantum-statistical properties

    SciTech Connect

    Sete, Eyob A.; Eleuch, H.

    2010-10-15

    We investigate the quantum statistical properties of the light emitted by a quantum well interacting with squeezed light from a degenerate subthreshold optical parametric oscillator. We obtain analytical solutions for the pertinent quantum Langevin equations in the strong-coupling and low-excitation regimes. Using these solutions we calculate the intensity spectrum, autocorrelation function, and quadrature squeezing for the fluorescent light. We show that the fluorescent light exhibits bunching and quadrature squeezing. We also show that the squeezed light leads to narrowing of the width of the spectrum of the fluorescent light.

  3. Nonequilibrium effective field theory for absorbing state phase transitions in driven open quantum spin systems

    NASA Astrophysics Data System (ADS)

    Buchhold, Michael; Everest, Benjamin; Marcuzzi, Matteo; Lesanovsky, Igor; Diehl, Sebastian

    2017-01-01

    Phase transitions to absorbing states are among the simplest examples of critical phenomena out of equilibrium. The characteristic feature of these models is the presence of a fluctuationless configuration which the dynamics cannot leave, which has proved a rather stringent requirement in experiments. Recently, a proposal to seek such transitions in highly tunable systems of cold-atomic gases offers to probe this physics and, at the same time, to investigate the robustness of these transitions to quantum coherent effects. Here, we specifically focus on the interplay between classical and quantum fluctuations in a simple driven open quantum model which, in the classical limit, reproduces a contact process, which is known to undergo a continuous transition in the "directed percolation" universality class. We derive an effective long-wavelength field theory for the present class of open spin systems and show that, due to quantum fluctuations, the nature of the transition changes from second to first order, passing through a bicritical point which appears to belong instead to the "tricritical directed percolation" class.

  4. Approximate but accurate quantum dynamics from the Mori formalism: I. Nonequilibrium dynamics.

    PubMed

    Montoya-Castillo, Andrés; Reichman, David R

    2016-05-14

    We present a formalism that explicitly unifies the commonly used Nakajima-Zwanzig approach for reduced density matrix dynamics with the more versatile Mori theory in the context of nonequilibrium dynamics. Employing a Dyson-type expansion to circumvent the difficulty of projected dynamics, we obtain a self-consistent equation for the memory kernel which requires only knowledge of normally evolved auxiliary kernels. To illustrate the properties of the current approach, we focus on the spin-boson model and limit our attention to the use of a simple and inexpensive quasi-classical dynamics, given by the Ehrenfest method, for the calculation of the auxiliary kernels. For the first time, we provide a detailed analysis of the dependence of the properties of the memory kernels obtained via different projection operators, namely, the thermal (Redfield-type) and population based (NIBA-type) projection operators. We further elucidate the conditions that lead to short-lived memory kernels and the regions of parameter space to which this program is best suited. Via a thorough analysis of the different closures available for the auxiliary kernels and the convergence properties of the self-consistently extracted memory kernel, we identify the mechanisms whereby the current approach leads to a significant improvement over the direct usage of standard semi- and quasi-classical dynamics.

  5. PT symmetry in classical and quantum statistical mechanics.

    PubMed

    Meisinger, Peter N; Ogilvie, Michael C

    2013-04-28

    PT-symmetric Hamiltonians and transfer matrices arise naturally in statistical mechanics. These classical and quantum models often require the use of complex or negative weights and thus fall outside the conventional equilibrium statistical mechanics of Hermitian systems. PT-symmetric models form a natural class where the partition function is necessarily real, but not necessarily positive. The correlation functions of these models display a much richer set of behaviours than Hermitian systems, displaying sinusoidally modulated exponential decay, as in a dense fluid, or even sinusoidal modulation without decay. Classical spin models with PT-symmetry include Z(N) models with a complex magnetic field, the chiral Potts model and the anisotropic next-nearest-neighbour Ising model. Quantum many-body problems with a non-zero chemical potential have a natural PT-symmetric representation related to the sign problem. Two-dimensional quantum chromodynamics with heavy quarks at non-zero chemical potential can be solved by diagonalizing an appropriate PT-symmetric Hamiltonian.

  6. Nonequilibrium fluctuation-dissipation relations for one- and two-particle correlation functions in steady-state quantum transport.

    PubMed

    Ness, H; Dash, L K

    2014-04-14

    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.

  7. Nonequilibrium-Plasma-Synthesized ZnO Nanocrystals with Plasmon Resonance Tunable via Al Doping and Quantum Confinement.

    PubMed

    Greenberg, Benjamin L; Ganguly, Shreyashi; Held, Jacob T; Kramer, Nicolaas J; Mkhoyan, K Andre; Aydil, Eray S; Kortshagen, Uwe R

    2015-12-09

    Metal oxide semiconductor nanocrystals (NCs) exhibit localized surface plasmon resonances (LSPRs) tunable within the infrared (IR) region of the electromagnetic spectrum by vacancy or impurity doping. Although a variety of these NCs have been produced using colloidal synthesis methods, incorporation and activation of dopants in the liquid phase has often been challenging. Herein, using Al-doped ZnO (AZO) NCs as an example, we demonstrate the potential of nonthermal plasma synthesis as an alternative strategy for the production of doped metal oxide NCs. Exploiting unique, thoroughly nonequilibrium synthesis conditions, we obtain NCs in which dopants are not segregated to the NC surfaces and local doping levels are high near the NC centers. Thus, we achieve overall doping levels as high as 2 × 10(20) cm(-3) in NCs with diameters ranging from 12.6 to 3.6 nm, and for the first time experimentally demonstrate a clear quantum confinement blue shift of the LSPR energy in vacancy- and impurity-doped semiconductor NCs. We propose that doping of central cores and heavy doping of small NCs are achievable via nonthermal plasma synthesis, because chemical potential differences between dopant and host atoms-which hinder dopant incorporation in colloidal synthesis-are irrelevant when NC nucleation and growth proceed via irreversible interactions among highly reactive gas-phase ions and radicals and ligand-free NC surfaces. We explore how the distinctive nucleation and growth kinetics occurring in the plasma influences dopant distribution and activation, defect structure, and impurity phase formation.

  8. Exotic quantum clusters and non-equilibrium dynamics of Rydberg excitations in one-dimensional optical lattices

    NASA Astrophysics Data System (ADS)

    Mattioli, Marco

    2016-12-01

    In this mini-review, we report results from M. Mattioli, et al. [Phys. Rev. Lett. 111, 165302 (2013)], M. Dalmonte, et al. [Phys. Rev. B 92, 045106 (2015)] and M. Mattioli, et al. [New J. Phys. 17, 113039 (2015)], where it is shown that Rydberg atoms trapped in one-dimensional optical lattices are a useful tool to investigate the equilibrium phase diagram and the non-equilibrium dynamics of extended Hubbard models and Kinetically Constrained Models, respectively. Atoms weakly-dressed to an high-lying Rydberg state, which interact with a constant potential extended over several lattice sites, can be in an exotic quantum liquid state, the cluster Luttinger liquid phase [42, 43]. Furthermore, we show how a many-body model of interacting three-level atoms in the V-shaped configuration, where one of the level is a Rydberg state, might relax to equilibrium according to the same rules, so-called kinetic constraints, which are known to reproduce the characteristic dynamical arrest and separation of timescales of real glass-forming materials [62].

  9. Vortices in superconducting films: Statistics and fractional quantum Hall effect

    SciTech Connect

    Dziarmaga, J.

    1996-03-01

    We present a derivation of the Berry phase picked up during exchange of parallel vortices. This derivation is based on the Bogolubov{endash}de Gennes formalism. The origin of the Magnus force is also critically reanalyzed. The Magnus force can be interpreted as an interaction with the effective magnetic field. The effective magnetic field may be even of the order 10{sup 6}{ital T}/A. We discuss a possibility of the fractional quantum Hall effect (FQHE) in vortex systems. As the real magnetic field is varied to drive changes in vortex density, the vortex density will prefer to stay at some quantized values. The mere existence of the FQHE does not depend on vortex quantum statistics, although the pattern of the plateaux does. We also discuss how the density of anyonic vortices can lower the effective strengh of the Magnus force, what might be observable in measurements of Hall resistivity. {copyright} {ital 1996 The American Physical Society.}

  10. Quantum statistics of Raman scattering model with Stokes mode generation

    NASA Technical Reports Server (NTRS)

    Tanatar, Bilal; Shumovsky, Alexander S.

    1994-01-01

    The model describing three coupled quantum oscillators with decay of Rayleigh mode into the Stokes and vibration (phonon) modes is examined. Due to the Manley-Rowe relations the problem of exact eigenvalues and eigenstates is reduced to the calculation of new orthogonal polynomials defined both by the difference and differential equations. The quantum statistical properties are examined in the case when initially: the Stokes mode is in the vacuum state; the Rayleigh mode is in the number state; and the vibration mode is in the number of or squeezed states. The collapses and revivals are obtained for different initial conditions as well as the change in time the sub-Poisson distribution by the super-Poisson distribution and vice versa.

  11. Measuring Fractional Statistics with Fabry-Perot Quantum Hall Interferometers

    NASA Astrophysics Data System (ADS)

    Goldman, Vladimir J.

    2008-03-01

    Laughlin quasiparticles are the elementary excitations of a highly-correlated fractional quantum Hall electron fluid. They have fractional charge and obey fractional statistics. The quasiparticles can propagate quantum-coherently in chiral edge channels, and constructively or destructively interfere. Unlike electrons, the interference condition for Laughlin quasiparticles has a non-vanishing statistical contribution that can be observed experimentally. Two kinds of interferometer devices have been realized. In the primary-filling interferometer, the entire device has filling 1/3, and the e/3 edge channel quasiparticles encircle identical e/3 island quasiparticles. Here the flux period is h/e, same as for electrons, but the back-gate charge period is e/3. In the second kind of interferometer, a lower density edge channel at filling 1/3 forms around a higher density island at filling 2/5, so that e/3 edge quasiparticles encircle e/5 island quasiparticles. Here we observe superperiodic oscillations with 5h/e flux and 2e charge periods, both corresponding to excitation of ten island quasiparticles. These periods can be understood as imposed by the anyonic braiding statistics of Laughlin quasiparticles. This work was done in collaboration with Fernando E. Camino, Ping Lin and Wei Zhou.

  12. Crossover physics in the nonequilibrium dynamics of quenched quantum impurity systems.

    PubMed

    Vasseur, Romain; Trinh, Kien; Haas, Stephan; Saleur, Hubert

    2013-06-14

    A general framework is proposed to tackle analytically local quantum quenches in integrable impurity systems, combining a mapping onto a boundary problem with the form factor approach to boundary-condition-changing operators introduced by Lesage and Saleur [Phys. Rev. Lett. 80, 4370 (1998)]. We discuss how to compute exactly the following two central quantities of interest: the Loschmidt echo and the distribution of the work done during the quantum quench. Our results display an interesting crossover physics characterized by the energy scale T(b) of the impurity corresponding to the Kondo temperature. We discuss in detail the noninteracting case as a paradigm and benchmark for more complicated integrable impurity models and check our results using numerical methods.

  13. Random matrices as models for the statistics of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Casati, Giulio; Guarneri, Italo; Mantica, Giorgio

    1986-05-01

    Random matrices from the Gaussian unitary ensemble generate in a natural way unitary groups of evolution in finite-dimensional spaces. The statistical properties of this time evolution can be investigated by studying the time autocorrelation functions of dynamical variables. We prove general results on the decay properties of such autocorrelation functions in the limit of infinite-dimensional matrices. We discuss the relevance of random matrices as models for the dynamics of quantum systems that are chaotic in the classical limit. Permanent address: Dipartimento di Fisica, Via Celoria 16, 20133 Milano, Italy.

  14. Statistical theory of designed quantum transport across disordered networks.

    PubMed

    Walschaers, Mattia; Mulet, Roberto; Wellens, Thomas; Buchleitner, Andreas

    2015-04-01

    We explain how centrosymmetry, together with a dominant doublet of energy eigenstates in the local density of states, can guarantee interference-assisted, strongly enhanced, strictly coherent quantum excitation transport between two predefined sites of a random network of two-level systems. Starting from a generalization of the chaos-assisted tunnelling mechanism, we formulate a random matrix theoretical framework for the analytical prediction of the transfer time distribution, of lower bounds of the transfer efficiency, and of the scaling behavior of characteristic statistical properties with the size of the network. We show that these analytical predictions compare well to numerical simulations, using Hamiltonians sampled from the Gaussian orthogonal ensemble.

  15. CMB statistical anisotropies of classical and quantum origins

    SciTech Connect

    Chen, Xingang; Emami, Razieh; Firouzjahi, Hassan; Wang, Yi E-mail: emami@ipm.ir E-mail: yw366@cam.ac.uk

    2015-04-01

    We examine the impact of different anisotropic relics on inflation, in particular the predictions on the density perturbations. These relics can be the source of the large scale anomalies in the cosmic microwave background. There are two different types of background relics, one from the matter sector and the other purely from the metric. Although the angular-dependence of the statistical anisotropy in both cases are degenerate, the scale-dependence are observationally distinctive. In addition, we demonstrate that non-Bunch-Davies vacuum states can extend the statistical anisotropy to much shorter scales, and leave a scale-dependence that is insensitive to the different backgrounds but sensitive to the initial quantum state.

  16. Agents with left and right dominant hemispheres and quantum statistics

    NASA Astrophysics Data System (ADS)

    Ezhov, Alexandr A.; Khrennikov, Andrei Yu.

    2005-01-01

    We present a multiagent model illustrating the emergence of two different quantum statistics, Bose-Einstein and Fermi-Dirac, in a friendly population of individuals with the right-brain dominance and in a competitive population of individuals with the left-brain hemisphere dominance, correspondingly. Doing so, we adduce the arguments that Lefebvre’s “algebra of conscience” can be used in a natural way to describe decision-making strategies of agents simulating people with different brain dominance. One can suggest that the emergence of the two principal statistical distributions is able to illustrate different types of society organization and also to be used in order to simulate market phenomena and psychic disorders, when a switching of hemisphere dominance is involved.

  17. Fast Quantum Algorithm for Predicting Descriptive Statistics of Stochastic Processes

    NASA Technical Reports Server (NTRS)

    Williams Colin P.

    1999-01-01

    Stochastic processes are used as a modeling tool in several sub-fields of physics, biology, and finance. Analytic understanding of the long term behavior of such processes is only tractable for very simple types of stochastic processes such as Markovian processes. However, in real world applications more complex stochastic processes often arise. In physics, the complicating factor might be nonlinearities; in biology it might be memory effects; and in finance is might be the non-random intentional behavior of participants in a market. In the absence of analytic insight, one is forced to understand these more complex stochastic processes via numerical simulation techniques. In this paper we present a quantum algorithm for performing such simulations. In particular, we show how a quantum algorithm can predict arbitrary descriptive statistics (moments) of N-step stochastic processes in just O(square root of N) time. That is, the quantum complexity is the square root of the classical complexity for performing such simulations. This is a significant speedup in comparison to the current state of the art.

  18. Statistical benchmarking for orthogonal electrostatic quantum dot qubit devices

    NASA Astrophysics Data System (ADS)

    Gamble, John; Frees, Adam; Friesen, Mark; Coppersmith, S. N.

    2014-03-01

    Quantum dots in semiconductor systems have emerged as attractive candidates for the implementation of quantum information processors because of the promise of scalability, manipulability, and integration with existing classical electronics. A limitation in current devices is that the electrostatic gates used for qubit manipulation exhibit strong cross-capacitance, presenting a barrier for practical scale-up. Here, we introduce a statistical framework for making precise the notion of orthogonality. We apply our method to analyze recently implemented designs at the University of Wisconsin-Madison that exhibit much increased orthogonal control than was previously possible. We then use our statistical modeling to future device designs, providing practical guidelines for devices to have robust control properties. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy Nuclear Security Administration under contract DE-AC04-94AL85000. The views and conclusions contained in this document are those of the authors and should not be interpreted as representing the official policies, either expressly or implied, of the US Government. This work was supported in part by the Laboratory Directed Research and Development program at Sandia National Laboratories, by ARO (W911NF-12-0607), and by the United States Department of Defense.

  19. Role of the Initial State in the Nonequilibrium Quantum Dynamics of Many-Body Systems

    NASA Astrophysics Data System (ADS)

    Santos, Lea F.; Torres-Herrera, Eduardo J.

    2014-03-01

    We show that the dynamics of isolated many-body quantum systems after a quench depends on the interplay between the initial state and the Hamiltonian dictating the evolution. The systems considered are in the nonperturbative regime. The relaxation process is controlled by the width of the energy distribution of the initial state and may be very similar for both chaotic and integrable Hamiltonians. Our analytical expression for the fidelity decay displays excellent agreement with our numerical results. This decay is Gaussian and may persist until saturation. We also provide analytical expressions that describe very well the initial evolution of the Shannon entropy and of few-body observables. The analyses are developed for deterministic one-dimensional systems and initial states of interest to current experiments with cold atoms in optical lattices. This work was supported by the NSF grant No. DMR-1147430. E.J.T.H. acknowledges partial support by CONACyT, México.

  20. Nonequilibrium variational cluster perturbation theory: Quench dynamics of the quantum Ising model

    NASA Astrophysics Data System (ADS)

    Asadzadeh, Mohammad Zhian; Fabrizio, Michele; Arrigoni, Enrico

    2016-11-01

    We introduce a variational implementation of cluster perturbation theory (CPT) to address the dynamics of spin systems driven out of equilibrium. We benchmark the method with the quantum Ising model subject to a sudden quench of the transverse magnetic field across the transition or within a phase. We treat both the one-dimensional case, for which an exact solution is available, as well the two-dimensional case, for which we have to resort to numerical results. Comparison with exact results shows that the approach provides a quite accurate description of the real-time dynamics up to a characteristic timescale τ that increases with the size of the cluster used for CPT. In addition, and not surprisingly, τ is small for quenches across the equilibrium phase transition point, but can be quite larger for quenches within the ordered or disordered phases.

  1. Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: the resonant level model.

    PubMed

    Swenson, David W H; Levy, Tal; Cohen, Guy; Rabani, Eran; Miller, William H

    2011-04-28

    A semiclassical approach is developed for nonequilibrium quantum transport in molecular junctions. Following the early work of Miller and White [J. Chem. Phys. 84, 5059 (1986)], the many-electron Hamiltonian in second quantization is mapped onto a classical model that preserves the fermionic character of electrons. The resulting classical electronic Hamiltonian allows for real-time molecular dynamics simulations of the many-body problem from an uncorrelated initial state to the steady state. Comparisons with exact results generated for the resonant level model reveal that a semiclassical treatment of transport provides a quantitative description of the dynamics at all relevant timescales for a wide range of bias and gate potentials, and for different temperatures. The approach opens a door to treating nontrivial quantum transport problems that remain far from the reach of fully quantum methodologies.

  2. Modeling of stagnation-line nonequilibrium flows by means of quantum based collisional models

    SciTech Connect

    Munafò, A. Magin, T. E.

    2014-09-15

    The stagnation-line flow over re-entry bodies is analyzed by means of a quantum based collisional model which accounts for dissociation and energy transfer in N{sub 2}-N interactions. The physical model is based on a kinetic database developed at NASA Ames Research Center. The reduction of the kinetic mechanism is achieved by lumping the rovibrational energy levels of the N{sub 2} molecule in energy bins. The energy bins are treated as separate species, thus allowing for non-Boltzmann distributions of their populations. The governing equations are discretized in space by means of the Finite Volume method. A fully implicit time-integration is used to obtain steady-state solutions. The results show that the population of the energy bins strongly deviate from a Boltzmann distribution close to the shock wave and across the boundary layer. The sensitivity analysis to the number of energy bins reveals that accurate estimation of flow quantities (such as chemical composition and wall heat flux) can be obtained by using only 10 energy bins. A comparison with the predictions obtained by means of conventional multi-temperature models indicates that the former can lead to an overestimation of the wall heat flux, due to an inaccurate modeling of recombination in the boundary layer.

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

    NASA Astrophysics Data System (ADS)

    Lucarini, Valerio

    2008-05-01

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

  4. Radiation from quantum weakly dynamical horizons in loop quantum gravity.

    PubMed

    Pranzetti, Daniele

    2012-07-06

    We provide a statistical mechanical analysis of quantum horizons near equilibrium in the grand canonical ensemble. By matching the description of the nonequilibrium phase in terms of weakly dynamical horizons with a local statistical framework, we implement loop quantum gravity dynamics near the boundary. The resulting radiation process provides a quantum gravity description of the horizon evaporation. For large black holes, the spectrum we derive presents a discrete structure which could be potentially observable.

  5. Analysis of surface sputtering on a quantum statistical basis

    NASA Technical Reports Server (NTRS)

    Wilhelm, H. E.

    1975-01-01

    Surface sputtering is explained theoretically by means of a 3-body sputtering mechanism involving the ion and two surface atoms of the solid. By means of quantum-statistical mechanics, a formula for the sputtering ratio S(E) is derived from first principles. The theoretical sputtering rate S(E) was found experimentally to be proportional to the square of the difference between incident ion energy and the threshold energy for sputtering of surface atoms at low ion energies. Extrapolation of the theoretical sputtering formula to larger ion energies indicates that S(E) reaches a saturation value and finally decreases at high ion energies. The theoretical sputtering ratios S(E) for wolfram, tantalum, and molybdenum are compared with the corresponding experimental sputtering curves in the low energy region from threshold sputtering energy to 120 eV above the respective threshold energy. Theory and experiment are shown to be in good agreement.

  6. Role of quantum statistics in multi-particle decay dynamics

    SciTech Connect

    Marchewka, Avi; Granot, Er’el

    2015-04-15

    The role of quantum statistics in the decay dynamics of a multi-particle state, which is suddenly released from a confining potential, is investigated. For an initially confined double particle state, the exact dynamics is presented for both bosons and fermions. The time-evolution of the probability to measure two-particle is evaluated and some counterintuitive features are discussed. For instance, it is shown that although there is a higher chance of finding the two bosons (as oppose to fermions, and even distinguishable particles) at the initial trap region, there is a higher chance (higher than fermions) of finding them on two opposite sides of the trap as if the repulsion between bosons is higher than the repulsion between fermions. The results are demonstrated by numerical simulations and are calculated analytically in the short-time approximation. Furthermore, experimental validation is suggested.

  7. Non-extensive quantum statistics with particle-hole symmetry

    NASA Astrophysics Data System (ADS)

    Biró, T. S.; Shen, K. M.; Zhang, B. W.

    2015-06-01

    Based on Tsallis entropy (1988) and the corresponding deformed exponential function, generalized distribution functions for bosons and fermions have been used since a while Teweldeberhan et al. (2003) and Silva et al. (2010). However, aiming at a non-extensive quantum statistics further requirements arise from the symmetric handling of particles and holes (excitations above and below the Fermi level). Naive replacements of the exponential function or "cut and paste" solutions fail to satisfy this symmetry and to be smooth at the Fermi level at the same time. We solve this problem by a general ansatz dividing the deformed exponential to odd and even terms and demonstrate that how earlier suggestions, like the κ- and q-exponential behave in this respect.

  8. Improved unfolding by detrending of statistical fluctuations in quantum spectra.

    PubMed

    Morales, Irving O; Landa, E; Stránský, P; Frank, A

    2011-07-01

    A fundamental relation exists between the statistical properties of the fluctuations of the energy-level spectrum of a Hamiltonian and the chaotic properties of the physical system it describes. This relationship has been addressed previously as a signature of chaos in quantum dynamical systems. In order to properly analyze these fluctuations, however, it is necessary to separate them from the general tendency, namely, its secular part. Unfortunately this process, called unfolding, is not trivial and can lead to erroneous conclusions about the chaoticity of a system. In this paper we propose a technique to improve the unfolding procedure for the purpose of minimizing the dependence on the particular procedure. This technique is based on detrending the fluctuations of the unfolded spectra through the empirical mode decomposition method.

  9. Quantum dissipative effects on non-equilibrium transport through a single-molecular transistor: The Anderson-Holstein-Caldeira-Leggett model

    NASA Astrophysics Data System (ADS)

    Raju, Ch. Narasimha; Chatterjee, Ashok

    2016-01-01

    The Anderson-Holstein model with Caldeira-Leggett coupling with environment is considered to describe the damping effect in a single molecular transistor (SMT) which comprises a molecular quantum dot (with electron-phonon interaction) mounted on a substrate (environment) and coupled to metallic electrodes. The electron-phonon interaction is first eliminated using the Lang-Firsov transformation and the spectral density function, charge current and differential conductance are then calculated using the non-equilibrium Keldysh Green function technique. The effects of damping rate, and electron-electron and electron-phonon interactions on the transport properties of SMT are studied at zero temperature.

  10. Generic fixed point model for pseudo-spin-1/2 quantum dots in nonequilibrium: Spin-valve systems with compensating spin polarizations

    NASA Astrophysics Data System (ADS)

    Göttel, Stefan; Reininghaus, Frank; Schoeller, Herbert

    2015-07-01

    We study a pseudo-spin-1/2 quantum dot in the cotunneling regime close to the particle-hole symmetric point. For a generic tunneling matrix we find a fixed point with interesting nonequilibrium properties, characterized by effective reservoirs with compensating spin orientation vectors weighted by the polarizations and the tunneling rates. At large bias voltage we study the magnetic field dependence of the dot magnetization and the current. The fixed point can be clearly identified by analyzing the magnetization of the dot. We characterize the universal properties for the case of two reservoirs and discuss deviations from the fixed point model in experimentally realistic situations.

  11. Quantum dissipative effects on non-equilibrium transport through a single-molecular transistor: The Anderson-Holstein-Caldeira-Leggett model

    PubMed Central

    Raju, Ch. Narasimha; Chatterjee, Ashok

    2016-01-01

    The Anderson-Holstein model with Caldeira-Leggett coupling with environment is considered to describe the damping effect in a single molecular transistor (SMT) which comprises a molecular quantum dot (with electron-phonon interaction) mounted on a substrate (environment) and coupled to metallic electrodes. The electron-phonon interaction is first eliminated using the Lang-Firsov transformation and the spectral density function, charge current and differential conductance are then calculated using the non-equilibrium Keldysh Green function technique. The effects of damping rate, and electron-electron and electron-phonon interactions on the transport properties of SMT are studied at zero temperature. PMID:26732725

  12. Nonequilibrium spin texture within a thin layer below the surface of current-carrying topological insulator Bi2 Se3 : A first-principles quantum transport study

    NASA Astrophysics Data System (ADS)

    Chang, Po-Hao; Nikolic, Branislav; Markussen, Troels; Smidstrup, Søren; Stokbro, Kurt

    Using extension of nonequilibrium Green function combined with density functional theory (NEGF+DFT) formalism to situations involving noncollinear spins and spin-orbit coupling, we investigate microscopic details (on the 1 ° A scale) of nonequilibrium spin density S(r) driven by unpolarized charge current injection into a ballistic thin film of Bi 2 Se 3 as prototypical topological insulator (TI) material. We find large nonzero component of S(r) in the direction transverse to current flow on the metallic surfaces of TI, as well as within few bulk atomic layers near the surfaces because of penetration of evanescent wavefunctions from the metallic surfaces into the bulk. In addition, an order of magnitude smaller components emerge in the perpendicular (within surfaces and nearly bulk regions of TI) and longitudinal (within bulk region of TI near its surface) directions, thereby creating a complex nonequilibrium spin texture. We also demonstrate how DFT calcula- tions with properly optimized local orbital basis set can precisely match putatively more accurate calculations with plane wave basis set for the supercell of Bi 2 Se 3 . P.-H.C. and B.K.N. were supported by NSF Grant No. 281 FQ ECCS 1509094. The supercomputing time was provided by 282 XSEDE, which is supported by NSF Grant No. ACI-1053575. 283 QuantumWise acknowledges support from the Danish Inno-284 vation Fund Grant No.

  13. Density Functional Theory for Steady-State Nonequilibrium Molecular Junctions

    PubMed Central

    Liu, Shuanglong; Nurbawono, Argo; Zhang, Chun

    2015-01-01

    We present a density functional theory (DFT) for steady-state nonequilibrium quantum systems such as molecular junctions under a finite bias. Based on the steady-state nonequilibrium statistics that maps nonequilibrium to an effective equilibrium, we show that ground-state DFT (GS-DFT) is not applicable in this case and two densities, the total electron density and the density of current-carrying electrons, are needed to uniquely determine the properties of the corresponding nonequilibrium system. A self-consistent mean-field approach based on two densities is then derived. The theory is implemented into SIESTA computational package and applied to study nonequilibrium electronic/transport properties of a realistic carbon-nanotube (CNT)/Benzene junction. Results obtained from our steady-state DFT (SS-DFT) are compared with those of conventional GS-DFT based transport calculations. We show that SS-DFT yields energetically more stable nonequilibrium steady state, predicts significantly lower electric current, and is able to produce correct electronic structures in local equilibrium under a limiting case. PMID:26472080

  14. Nonequilibrium fluctuation-dissipation inequality and nonequilibrium uncertainty principle.

    PubMed

    Fleming, C H; Hu, B L; Roura, Albert

    2013-07-01

    The fluctuation-dissipation relation is usually formulated for a system interacting with a heat bath at finite temperature, and often in the context of linear response theory, where only small deviations from the mean are considered. We show that for an open quantum system interacting with a nonequilibrium environment, where temperature is no longer a valid notion, a fluctuation-dissipation inequality exists. Instead of being proportional, quantum fluctuations are bounded below by quantum dissipation, whereas classically the fluctuations vanish at zero temperature. The lower bound of this inequality is exactly satisfied by (zero-temperature) quantum noise and is in accord with the Heisenberg uncertainty principle, in both its microscopic origins and its influence upon systems. Moreover, it is shown that there is a coupling-dependent nonequilibrium fluctuation-dissipation relation that determines the nonequilibrium uncertainty relation of linear systems in the weak-damping limit.

  15. Nonequilibrium Mixed Quantum-Classical simulations of Hydrogen-bond Structure and Dynamics in Methanol-d Carbon tetrachloride liquid mixtures and its spectroscopic signature

    NASA Astrophysics Data System (ADS)

    Kwac, Kijeong; Geva, Eitan

    2011-03-01

    Liquid mixtures of methanol-d and carbon tetrachloride provide attractive model systems for investigating hydrogen-bond structure and dynamics. The hydrogen-bonded methanol oligomers in these mixtures give rise to a very broad hydroxyl stretch IR band (~ 150 cm-1). We have employed mixed quantum-classical molecular dynamics simulations to study the nature of hydrogen- bond structure and dynamics in this system and its spectroscopic signature. In our simulations, the hydroxyl stretch mode is treated quantum mechanically. We have found that the absorption spectrum is highly sensitive to the type of force fields used. Obtaining absorption spectra consistent with experiment required the use of corrected polarizabile force fields and a dipole damping scheme. We have established mapping relationships between the electric field along the hydroxyl bond and the hydrogen-stretch frequency and bond length thereby reducing the computational cost dramatically to simulate the complex nonequilibrium dynamics underlying pump-probe spectra.

  16. Spin-polarization and spin-dependent logic gates in a double quantum ring based on Rashba spin-orbit effect: Non-equilibrium Green's function approach

    SciTech Connect

    Eslami, Leila Esmaeilzadeh, Mahdi

    2014-02-28

    Spin-dependent electron transport in an open double quantum ring, when each ring is made up of four quantum dots and threaded by a magnetic flux, is studied. Two independent and tunable gate voltages are applied to induce Rashba spin-orbit effect in the quantum rings. Using non-equilibrium Green's function formalism, we study the effects of electron-electron interaction on spin-dependent electron transport and show that although the electron-electron interaction induces an energy gap, it has no considerable effect when the bias voltage is sufficiently high. We also show that the double quantum ring can operate as a spin-filter for both spin up and spin down electrons. The spin-polarization of transmitted electrons can be tuned from −1 (pure spin-down current) to +1 (pure spin-up current) by changing the magnetic flux and/or the gates voltage. Also, the double quantum ring can act as AND and NOR gates when the system parameters such as Rashba coefficient are properly adjusted.

  17. Contact geometric descriptions of vector fields on dually flat spaces and their applications in electric circuit models and nonequilibrium statistical mechanics

    NASA Astrophysics Data System (ADS)

    Goto, Shin-itiro

    2016-10-01

    Contact geometry has been applied to various mathematical sciences, and it has been proposed that a contact manifold and a strictly convex function induce a dually flat space that is used in information geometry. Here, such a dually flat space is related to a Legendre submanifold in a contact manifold. In this paper, contact geometric descriptions of vector fields on dually flat spaces are proposed on the basis of the theory of contact Hamiltonian vector fields. Based on these descriptions, two ways of lifting vector fields on Legendre submanifolds to contact manifolds are given. For some classes of these lifted vector fields, invariant measures in contact manifolds and stability analysis around Legendre submanifolds are explicitly given. Throughout this paper, Legendre duality is explicitly stated. In addition, to show how to apply these general methodologies to applied mathematical disciplines, electric circuit models and some examples taken from nonequilibrium statistical mechanics are analyzed.

  18. Quantum and statistical mechanics in open systems: theory and examples

    NASA Astrophysics Data System (ADS)

    Zueco, David

    2009-08-01

    Using the system-bath model Hamiltonian this thesis covers the equilibrium and out of equilibrium properties of quantum open systems. Topics included are the calculation of thermodynamical quantities of open systems, derivation of quantum master equations, phase space and numerical methods and Linear and non Linear Response Theory. Applications are the transport in periodic potentials and the dynamics of spins.

  19. Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces.

    PubMed

    Hyldgaard, P

    2012-10-24

    The standard formulation of tunneling transport rests on an open-boundary modeling. There, conserving approximations to nonequilibrium Green function or quantum statistical mechanics provide consistent but computational costly approaches; alternatively, the use of density-dependent ballistic-transport calculations (e.g., Lang 1995 Phys. Rev. B 52 5335), here denoted 'DBT', provides computationally efficient (approximate) atomistic characterizations of the electron behavior but has until now lacked a formal justification. This paper presents an exact, variational nonequilibrium thermodynamic theory for fully interacting tunneling and provides a rigorous foundation for frozen-nuclei DBT calculations as a lowest-order approximation to an exact nonequilibrium thermodynamic density functional evaluation. The theory starts from the complete electron nonequilibrium quantum statistical mechanics and I identify the operator for the nonequilibrium Gibbs free energy which, generally, must be treated as an implicit solution of the fully interacting many-body dynamics. I demonstrate a minimal property of a functional for the nonequilibrium thermodynamic grand potential which thus uniquely identifies the solution as the exact nonequilibrium density matrix. I also show that the uniqueness-of-density proof from a closely related Lippmann-Schwinger collision density functional theory (Hyldgaard 2008 Phys. Rev. B 78 165109) makes it possible to express the variational nonequilibrium thermodynamic description as a single-particle formulation based on universal electron-density functionals; the full nonequilibrium single-particle formulation improves the DBT method, for example, by a more refined account of Gibbs free energy effects. I illustrate a formal evaluation of the zero-temperature thermodynamic grand potential value which I find is closely related to the variation in the scattering phase shifts and hence to Friedel density oscillations. This paper also discusses the

  20. Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces

    NASA Astrophysics Data System (ADS)

    Hyldgaard, P.

    2012-10-01

    The standard formulation of tunneling transport rests on an open-boundary modeling. There, conserving approximations to nonequilibrium Green function or quantum statistical mechanics provide consistent but computational costly approaches; alternatively, the use of density-dependent ballistic-transport calculations (e.g., Lang 1995 Phys. Rev. B 52 5335), here denoted ‘DBT’, provides computationally efficient (approximate) atomistic characterizations of the electron behavior but has until now lacked a formal justification. This paper presents an exact, variational nonequilibrium thermodynamic theory for fully interacting tunneling and provides a rigorous foundation for frozen-nuclei DBT calculations as a lowest-order approximation to an exact nonequilibrium thermodynamic density functional evaluation. The theory starts from the complete electron nonequilibrium quantum statistical mechanics and I identify the operator for the nonequilibrium Gibbs free energy which, generally, must be treated as an implicit solution of the fully interacting many-body dynamics. I demonstrate a minimal property of a functional for the nonequilibrium thermodynamic grand potential which thus uniquely identifies the solution as the exact nonequilibrium density matrix. I also show that the uniqueness-of-density proof from a closely related Lippmann-Schwinger collision density functional theory (Hyldgaard 2008 Phys. Rev. B 78 165109) makes it possible to express the variational nonequilibrium thermodynamic description as a single-particle formulation based on universal electron-density functionals; the full nonequilibrium single-particle formulation improves the DBT method, for example, by a more refined account of Gibbs free energy effects. I illustrate a formal evaluation of the zero-temperature thermodynamic grand potential value which I find is closely related to the variation in the scattering phase shifts and hence to Friedel density oscillations. This paper also discusses the

  1. Non-equilibrium Green's function calculation of AlGaAs-well-based and GaSb-based terahertz quantum cascade laser structures

    SciTech Connect

    Yasuda, H. Hosako, I.

    2015-03-16

    We investigate the performance of terahertz quantum cascade lasers (THz-QCLs) based on Al{sub x}Ga{sub 1−x}As/Al{sub y}Ga{sub 1−y}As and GaSb/AlGaSb material systems to realize higher-temperature operation. Calculations with the non-equilibrium Green's function method reveal that the AlGaAs-well-based THz-QCLs do not show improved performance, mainly because of alloy scattering in the ternary compound semiconductor. The GaSb-based THz-QCLs offer clear advantages over GaAs-based THz-QCLs. Weaker longitudinal optical phonon–electron interaction in GaSb produces higher peaks in the spectral functions of the lasing levels, which enables more electrons to be accumulated in the upper lasing level.

  2. Laser and Stand-off Spectroscopy Quantum and Statistical Optics

    DTIC Science & Technology

    2011-01-01

    utilization of atomic coherence as is the case in lasing without inversion. However, the radiation process is not stimulated emission, but is rather...to break detailed balance via quantum coherence, as in the case of lasing without inversion and the photo-Carnot quantum heat engine. This yielded, in...developed new radiation sources as well as continued investigation into new methods of generation of coherence and exploration the new forms found in

  3. Quantum statistical theory of semiconductor junctions in thermal equilibrium

    NASA Technical Reports Server (NTRS)

    Von Roos, O.

    1977-01-01

    Free carrier and electric field distributions of one-dimensional semiconductor junctions are evaluated using a quantum mechanical phase-space distribution and its corresponding Boltzmann equation. Attention is given to quantum and exchange corrections in cases of high doping concentrations when carrier densities become degenerate. Quantitative differences between degenerate and classical junction characteristics, e.g., maximum electric field and built-in voltage and carrier concentration within the transition region, are evaluated numerically.

  4. Nonequilibrium processes.

    PubMed

    Polanyi, J C

    1971-08-01

    Nonequilibrium phenomena have been studied for over half a century, particularly as a means to understanding the mechanism of energy transfer. Application of the insights and techniques of molecular physics to chemistry has resulted in a view of chemistry as constituting an aspect of the study of strong collisions, and chemical reaction as a special type of energy transfer. Increasing use has been made in experimental work of nonequilibrium environments for the study of chemical processes. The nature and purpose of such experiments are reviewed here, very briefly, and an attempt is made to point to areas that appear ripe for development over the coming decade.

  5. Quantum Statistical Mechanical Derivation of the Second Law of Thermodynamics: A Hybrid Setting Approach.

    PubMed

    Tasaki, Hal

    2016-04-29

    Based on quantum statistical mechanics and microscopic quantum dynamics, we prove Planck's and Kelvin's principles for macroscopic systems in a general and realistic setting. We consider a hybrid quantum system that consists of the thermodynamic system, which is initially in thermal equilibrium, and the "apparatus" which operates on the former, and assume that the whole system evolves autonomously. This provides a satisfactory derivation of the second law for macroscopic systems.

  6. A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals

    SciTech Connect

    Sinitskiy, Anton V.; Voth, Gregory A.

    2015-09-07

    Computational modeling of the condensed phase based on classical statistical mechanics has been rapidly developing over the last few decades and has yielded important information on various systems containing up to millions of atoms. However, if a system of interest contains important quantum effects, well-developed classical techniques cannot be used. One way of treating finite temperature quantum systems at equilibrium has been based on Feynman’s imaginary time path integral approach and the ensuing quantum-classical isomorphism. This isomorphism is exact only in the limit of infinitely many classical quasiparticles representing each physical quantum particle. In this work, we present a reductionist perspective on this problem based on the emerging methodology of coarse-graining. This perspective allows for the representations of one quantum particle with only two classical-like quasiparticles and their conjugate momenta. One of these coupled quasiparticles is the centroid particle of the quantum path integral quasiparticle distribution. Only this quasiparticle feels the potential energy function. The other quasiparticle directly provides the observable averages of quantum mechanical operators. The theory offers a simplified perspective on quantum statistical mechanics, revealing its most reductionist connection to classical statistical physics. By doing so, it can facilitate a simpler representation of certain quantum effects in complex molecular environments.

  7. A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals.

    PubMed

    Sinitskiy, Anton V; Voth, Gregory A

    2015-09-07

    Computational modeling of the condensed phase based on classical statistical mechanics has been rapidly developing over the last few decades and has yielded important information on various systems containing up to millions of atoms. However, if a system of interest contains important quantum effects, well-developed classical techniques cannot be used. One way of treating finite temperature quantum systems at equilibrium has been based on Feynman's imaginary time path integral approach and the ensuing quantum-classical isomorphism. This isomorphism is exact only in the limit of infinitely many classical quasiparticles representing each physical quantum particle. In this work, we present a reductionist perspective on this problem based on the emerging methodology of coarse-graining. This perspective allows for the representations of one quantum particle with only two classical-like quasiparticles and their conjugate momenta. One of these coupled quasiparticles is the centroid particle of the quantum path integral quasiparticle distribution. Only this quasiparticle feels the potential energy function. The other quasiparticle directly provides the observable averages of quantum mechanical operators. The theory offers a simplified perspective on quantum statistical mechanics, revealing its most reductionist connection to classical statistical physics. By doing so, it can facilitate a simpler representation of certain quantum effects in complex molecular environments.

  8. Quantum statistical mechanics of dense partially ionized hydrogen.

    NASA Technical Reports Server (NTRS)

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

    1972-01-01

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

  9. Biexciton quantum yield of single semiconductor nanocrystals from photon statistics

    PubMed Central

    Nair, Gautham; Zhao, Jing; Bawendi, Moungi G

    2012-01-01

    Biexciton properties strongly affect the usability of a light emitter in quantum photon sources and lasers but are difficult to measure for single fluorophores at room temperature due to luminescence intermittency and bleaching at the high excitation fluences usually required. Here, we observe the biexciton (BX) to exciton (X) to ground photoluminescence cascade of single colloidal semiconductor nanocrystals (NCs) under weak excitation in a g(2) photon correlation measurement and show that the normalized amplitude of the cascade feature is equal to the ratio of the BX to X fluorescence quantum yields. This imposes a limit on the attainable depth of photon antibunching and provides a robust means to study single emitter biexciton physics. In NC samples, we show that the BX quantum yield is considerably inhomogeneous, consistent with the defect sensitivity expected of the Auger nonradiative recombination mechanism. The method can be extended to study X,BX spectral and polarization correlations. PMID:21288042

  10. Full counting statistics of phonon-assisted Andreev tunneling through a quantum dot coupled to normal and superconducting leads

    NASA Astrophysics Data System (ADS)

    Dong, Bing; Ding, G. H.; Lei, X. L.

    2017-01-01

    We present a theoretical investigation for the full counting statistics of the Andreev tunneling through a quantum dot (QD) embedded between superconducting (SC) and normal leads in the presence of a strong on-site electron-phonon interaction using nonequilibrium Green function method. For this purpose, we generalize the dressed tunneling approximation (DTA) recently developed in dealing with inelastic tunneling in a normal QD system to the Andreev transport issue. This method takes account of vibrational effect in evaluation of electronic tunneling self energy in comparison with other simple approaches and meanwhile allows us to derive an explicit analytical formula for the cumulant generating function at the subgap region. We then analyze the interplay of polaronic and SC proximity effects on the Andreev reflection spectrum, current-voltage characteristics, and current fluctuations of the hybrid system. Our main findings include: (1) no phonon side peaks in the linear Andreev conductance; (2) a negative differential conductance stemming from the suppressed Andreev reflection spectrum; (3) a novel inelastic resonant peak in the differential conductance due to phonon assisted Andreev reflection; (4) enhancement or suppression of shot noise for the symmetric or asymmetric tunnel-coupling system, respectively.

  11. Role of quantum statistics in the photoassociation of Bose-Einstein condensates

    SciTech Connect

    Olsen, M. K.; Plimak, L. I.

    2003-09-01

    We show that the photoassociation of an atomic Bose-Einstein condensate to form condensed molecules is a chemical process which not only does not obey the Arrhenius rules for chemical reactions, but that it can also depend on the quantum statistics of the reactants. Comparing the predictions of a truncated Wigner representation for different initial quantum states, we find that, even when the quantum prediction for an initial coherent state is close to the Gross-Pitaevskii prediction, other quantum states may result in very different dynamics.

  12. The Development of Effective Classical Potentials and the Quantum Statistical Mechanical Second Virial Coefficient of Water

    SciTech Connect

    Schenter, Gregory K.

    2002-10-08

    The second virial coefficient of water is calculated at low temperature by considering full quantum statistical mechanical effects. At low enough temperatures experimental results are limited and molecular models can be used for accurate extrapolation. In doing so, one must separate inaccuracies of the intermolecular potential from limitations of simulation such as the neglect of higher-order quantum corrections. Effective classical potentials may be used to understand the limitations of classical simulation. In this work we calculate the exact quantum statistical mechanical second virial coefficient and find that using a simple form for the effective classical potential introduced by Miller we are able to reproduce the exact quantum statistical results. This approach provides a significant improvement to conventional first order expansions of the second virial coefficient.

  13. Generalized Statistical Mechanics and Scaling Behavior for Non-equilibrium Polymer Chains: II. Monomers Connected by Springs

    NASA Astrophysics Data System (ADS)

    Ma, Wen-Jong; Hu, Chin-Kun

    2010-02-01

    We use molecular dynamics simulations to study the relaxation process in a system of spatially well-mixed polymer chains and Lennard-Jones molecules, in which each polymer chain consists of monomers connected by springs of strength kspring and governed by bending and torsion angle potentials. The monomers are fluid-repelling, except for a small number of randomly chosen fluid-attractive “linker-sites”. The instantaneous temperatures of the monomers in polymer chains, T*P, and the fluid, T*F, are initially different, but they vary in time and their ratios Γ* = T*P/T*F approach a constant during the relaxation process. The velocity distributions of monomers in the relaxation process follow q-statistics with q ≥ 1. We find that the value of q and the limiting ratio of Γ* depend on kspring; in the strong strength limit, they approach those for the system, in which each polymer chain consists of monomers connected by rigid bonds; in the weak strength limit, Γ* and q approach 1 corresponding to Maxwell-Boltzmann distribution. The thermal contact between polymer chains and the fluid in our simulated systems provides a good basis for further study on the concept of temperature and the effective number of degrees of freedom in heterogeneous soft-matter systems.

  14. Counting statistics of non-Markovian quantum stochastic processes.

    PubMed

    Flindt, Christian; Novotný, Tomás; Braggio, Alessandro; Sassetti, Maura; Jauho, Antti-Pekka

    2008-04-18

    We derive a general expression for the cumulant generating function (CGF) of non-Markovian quantum stochastic transport processes. The long-time limit of the CGF is determined by a single dominating pole of the resolvent of the memory kernel from which we extract the zero-frequency cumulants of the current using a recursive scheme. The finite-frequency noise is expressed not only in terms of the resolvent, but also initial system-environment correlations. As an illustrative example we consider electron transport through a dissipative double quantum dot for which we study the effects of dissipation on the zero-frequency cumulants of high orders and the finite-frequency noise.

  15. Convergence Rates for Arbitrary Statistical Moments of Random Quantum Circuits

    NASA Astrophysics Data System (ADS)

    Brown, Winton G.; Viola, Lorenza

    2010-06-01

    We consider a class of random quantum circuits where at each step a gate from a universal set is applied to a random pair of qubits, and determine how quickly averages of arbitrary finite-degree polynomials in the matrix elements of the resulting unitary converge to Haar measure averages. This is accomplished by mapping the superoperator that describes t order moments on n qubits to a multilevel SU(4t) Lipkin-Meshkov-Glick Hamiltonian. We show that, for arbitrary fixed t, the ground-state manifold is exactly spanned by factorized eigenstates and, under the assumption that a mean-field ansatz accurately describes the low-lying excitations, the spectral gap scales as 1/n in the thermodynamic limit. Our results imply that random quantum circuits yield an efficient implementation of γ approximate unitary t designs.

  16. Chaotic dynamics, fluctuations, nonequilibrium ensembles.

    PubMed

    Gallavotti, Giovanni

    1998-06-01

    The ideas and the conceptual steps leading from the ergodic hypothesis for equilibrium statistical mechanics to the chaotic hypothesis for equilibrium and nonequilibrium statistical mechanics are illustrated. The fluctuation theorem linear law and universal slope prediction for reversible systems is briefly derived. Applications to fluids are briefly alluded to. (c) 1998 American Institute of Physics.

  17. Studies on Quantum Field Theory and Statistical Mechanics

    NASA Astrophysics Data System (ADS)

    Zhang, Shoucheng

    This dissertation is a summary of research in various areas of theoretical physics and is divided into three parts. In the first part, quantum fluctuations of the recently proposed superconducting cosmic strings are studied. It is found that vortices on the string world sheet represent an important class of fluctuation modes which tend to disorder the system. Both heuristic arguments and detailed renormalization group analysis reveal that these vortices do not appear in bound pairs but rather form a gas of free vortices. Based on this observation we argue that this fluctuation mode violates the topological conservation law on which superconductivity is based. Anomalies and topological aspects of supersymmetric quantum field theories are studied in the second part of this dissertation. Using the superspace formulation of the N = 1 spinning string, we obtain a path integral measure which is free from the world-sheet general coordinate as well as the supersymmetry anomalies and therefore determine the conformal anomaly and critical dimension of the spinning string. We also apply Fujikawa's formalism to computer the chiral anomaly in conformal as well as ordinary supergravity. Finally, we given a Noether-method construction of the supersymmetrized Chern-Simons term in five dimensional supergravity. In the last part of this dissertation, the soliton excitations in the quarter-filled Peierls-Hubbard model are investigated in both the large and the small U limit. For a strictly one dimensional system at zero temperature, we find that solitons in both limits are in one-to-one correspondence, while in the presence of weak three dimensional couplings or at finite temperature, the large U systems differ qualitatively from the small U systems in that the spin associated with the solitons ceases to be a sharp quantum observable.

  18. Measuring dynamical randomness of quantum chaos by statistics of Schmidt eigenvalues.

    PubMed

    Kubotani, Hiroto; Adachi, Satoshi; Toda, Mikito

    2013-06-01

    We study statistics of entanglement generated by quantum chaotic dynamics. Using an ensemble of the very large number (>/~10(7)) of quantum states obtained from the temporally evolving coupled kicked tops, we verify that the estimated one-body distribution of the squared Schmidt eigenvalues for the quantum chaotic dynamics can agree surprisingly well with the analytical one for the universality class of the random matrices described by the fixed trace ensemble (FTE). In order to quantify this agreement, we introduce the L(1) norm of the difference between the one-body distributions for the quantum chaos and FTE and use it as an indicator of the dynamical randomness. As we increase the scaled coupling constant, the L(1) difference decreases. When the effective Planck constant is not small enough, the decrease saturates, which implies quantum suppression of dynamical randomness. On the other hand, when the effective Planck constant is small enough, the decrease of the L(1) difference continues until it is masked by statistical fluctuation due to finiteness of the ensemble. Furthermore, we carry out two statistical analyses, the χ(2) goodness of fit test and an autocorrelation analysis, on the difference between the distributions to seek for dynamical remnants buried under the statistical fluctuation. We observe that almost all fluctuating deviations are statistical. However, even for well-developed quantum chaos, unexpectedly, we find a slight nonstatistical deviation near the largest Schmidt eigenvalue. In this way, the statistics of Schmidt eigenvalues enables us to measure dynamical randomness of quantum chaos with reference to the random matrix theory of FTE.

  19. Exact integrability in quantum field theory and statistical systems

    NASA Astrophysics Data System (ADS)

    Thacker, H. B.

    1981-04-01

    The properties of exactly integrable two-dimensional quantum systems are reviewed and discussed. The nature of exact integrability as a physical phenomenon and various aspects of the mathematical formalism are explored by discussing several examples, including detailed treatments of the nonlinear Schrödinger (delta-function gas) model, the massive Thirring model, and the six-vertex (ice) model. The diagonalization of a Hamiltonian by Bethe's Ansatz is illustrated for the nonlinear Schrödínger model, and the integral equation method of Lieb for obtaining the spectrum of the many-body system from periodic boundary conditions is reviewed. Similar methods are applied to the massive Thirring model, where the fermion-antifermion and bound-state spectrum are obtained explicitly by the integral equation method. After a brief review of the classical inverse scattering method, the quantum inverse method for the nonlinear Schrödinger model is introduced and shown to be an algebraization of the Bethe Ansatz technique. In the quantum inverse method, an auxiliary linear problem is used to define nonlocal operators which are functionals of the original local field on a fixed-time string of arbitrary length. The particular operators for which the string is infinitely long (free boundary conditions) or forms a closed loop around a cylinder (periodic boundary conditions) correspond to the quantized scattering data and have a special significance. One of them creates the Bethe eigenstates, while the other is the generating function for an infinite number of conservation laws. The analogous operators on a lattice are constructed for the symmetric six-vertex model, where the object which corresponds to a solution of the auxiliary linear problem is a string of vertices contracted over horizontal links (arrows). The relationship between the quantum inverse method and the transfer matrix formalism is exhibited. The inverse Gel'fand-Levitan transform which expresses the local field

  20. Statistical origin of classical mechanics and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Chu, Shu-Yuan

    1993-11-01

    The classical action for interacting strings, obtained by generalizing the time-symmetric electrodynamics of Wheeler and Feynman, is exactly additive. The additivity of the string action suggests a connection between the area of the string world sheets and entropy. We find that the action principle of classical mechanics is the condition that the total entropy of the strings be at an extremum, and the path-integral representation of the quantum density matrix element is an approximation to the partition function of the string theory.

  1. Non-Equilibrium Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Ciccotti, Giovanni; Kapral, Raymond; Sergi, Alessandro

    Statistical mechanics provides a well-established link between microscopic equilibrium states and thermodynamics. If one considers systems out of equilibrium, the link between microscopic dynamical properties and non-equilibrium macroscopic states is more difficult to establish [1,2]. For systems lying near equilibrium, linear response theory provides a route to derive linear macroscopic laws and the microscopic expressions for the transport properties that enter the constitutive relations. If the system is displaced far from equilibrium, no fully general theory exists to treat such systems. By restricting consideration to a class of non-equilibrium states which arise from perturbations (linear or non-linear) of an equilibrium state, methods can be developed to treat non-equilibrium states. Furthermore, non-equilibrium molecular dynamics (NEMD) simulation methods can be devised to provide estimates for the transport properties of these systems.

  2. Calibration of single-photon detectors using quantum statistics

    SciTech Connect

    Mogilevtsev, D.

    2010-08-15

    I show that calibration of the single-photon detector can be performed without knowledge of the signal parameters. Only partial information about the state statistics is sufficient for that. If one knows that the state is the squeezed one or the squeezed one mixed with the incoherent radiation, one can infer both the parameters of the state and the efficiency of the detector. For that one needs only to measure on/off statistics of detector clicks for the number of known absorbers placed before the detector. Thus, I suggest a scheme that performs a tomography of the signal and the measuring apparatus simultaneously.

  3. Equilibration, thermalisation, and the emergence of statistical mechanics in closed quantum systems.

    PubMed

    Gogolin, Christian; Eisert, Jens

    2016-05-01

    We review selected advances in the theoretical understanding of complex quantum many-body systems with regard to emergent notions of quantum statistical mechanics. We cover topics such as equilibration and thermalisation in pure state statistical mechanics, the eigenstate thermalisation hypothesis, the equivalence of ensembles, non-equilibration dynamics following global and local quenches as well as ramps. We also address initial state independence, absence of thermalisation, and many-body localisation. We elucidate the role played by key concepts for these phenomena, such as Lieb-Robinson bounds, entanglement growth, typicality arguments, quantum maximum entropy principles and the generalised Gibbs ensembles, and quantum (non-)integrability. We put emphasis on rigorous approaches and present the most important results in a unified language.

  4. Equilibration, thermalisation, and the emergence of statistical mechanics in closed quantum systems

    NASA Astrophysics Data System (ADS)

    Gogolin, Christian; Eisert, Jens

    2016-05-01

    We review selected advances in the theoretical understanding of complex quantum many-body systems with regard to emergent notions of quantum statistical mechanics. We cover topics such as equilibration and thermalisation in pure state statistical mechanics, the eigenstate thermalisation hypothesis, the equivalence of ensembles, non-equilibration dynamics following global and local quenches as well as ramps. We also address initial state independence, absence of thermalisation, and many-body localisation. We elucidate the role played by key concepts for these phenomena, such as Lieb-Robinson bounds, entanglement growth, typicality arguments, quantum maximum entropy principles and the generalised Gibbs ensembles, and quantum (non-)integrability. We put emphasis on rigorous approaches and present the most important results in a unified language.

  5. Quantum statistical imaging of particles without restriction of the diffraction limit.

    PubMed

    Cui, Jin-Ming; Sun, Fang-Wen; Chen, Xiang-Dong; Gong, Zhao-Jun; Guo, Guang-Can

    2013-04-12

    A quantum measurement method based on the quantum nature of antibunching photon emission has been developed to detect single particles without the restriction of the diffraction limit. By simultaneously counting the single-photon and two-photon signals with fluorescence microscopy, the images of nearby nitrogen-vacancy centers in diamond at a distance of 8.5±2.4  nm have been successfully reconstructed. Also their axes information was optically obtained. This quantum statistical imaging technique, with a simple experimental setup, can also be easily generalized in the measuring and distinguishing of other physical properties with any overlapping, which shows high potential in future image and study of coupled quantum systems for quantum information techniques.

  6. Repeated interactions in open quantum systems

    SciTech Connect

    Bruneau, Laurent; Joye, Alain; Merkli, Marco

    2014-07-15

    Analyzing the dynamics of open quantum systems has a long history in mathematics and physics. Depending on the system at hand, basic physical phenomena that one would like to explain are, for example, convergence to equilibrium, the dynamics of quantum coherences (decoherence) and quantum correlations (entanglement), or the emergence of heat and particle fluxes in non-equilibrium situations. From the mathematical physics perspective, one of the main challenges is to derive the irreversible dynamics of the open system, starting from a unitary dynamics of the system and its environment. The repeated interactions systems considered in these notes are models of non-equilibrium quantum statistical mechanics. They are relevant in quantum optics, and more generally, serve as a relatively well treatable approximation of a more difficult quantum dynamics. In particular, the repeated interaction models allow to determine the large time (stationary) asymptotics of quantum systems out of equilibrium.

  7. Jensen-Shannon Divergence: A Multipurpose Distance for Statistical and Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Lamberti, Pedro W.; Majtey, Ana P.; Madrid, Marcos; Pereyra, María E.

    2007-05-01

    Many problems of statistical and quantum mechanics can be established in terms of a distance; in the first case the distance is usually defined between probability distributions; in the second one, between quantum states. The present work is devoted to review the main properties of a distance known as the Jensen-Shannon divergence (JSD) in its classical and quantum version. We present two examples of application of this distance: in the first one we use it as a quantifiers of the stochastic resonance phenomenon in ion channels; in the second one we use the JSD to propose a geometrical view of entanglement for two qubits states.

  8. Nonequilibrium mesoscopic transport: a genealogy.

    PubMed

    Das, Mukunda P; Green, Frederick

    2012-05-09

    Models of nonequilibrium quantum transport underpin all modern electronic devices, from the largest scales to the smallest. Past simplifications such as coarse graining and bulk self-averaging served well to understand electronic materials. Such particular notions become inapplicable at mesoscopic dimensions, edging towards the truly quantum regime. Nevertheless a unifying thread continues to run through transport physics, animating the design of small-scale electronic technology: microscopic conservation and nonequilibrium dissipation. These fundamentals are inherent in quantum transport and gain even greater and more explicit experimental meaning in the passage to atomic-sized devices. We review their genesis, their theoretical context, and their governing role in the electronic response of meso- and nanoscopic systems.

  9. Dynamical quantum phase transitions (Review Article)

    NASA Astrophysics Data System (ADS)

    Zvyagin, A. A.

    2016-11-01

    During recent years the interest to dynamics of quantum systems has grown considerably. Quantum many body systems out of equilibrium often manifest behavior, different from the one predicted by standard statistical mechanics and thermodynamics in equilibrium. Since the dynamics of a many-body quantum system typically involve many excited eigenstates, with a non-thermal distribution, the time evolution of such a system provides an unique way for investigation of non-equilibrium quantum statistical mechanics. Last decade such new subjects like quantum quenches, thermalization, pre-thermalization, equilibration, generalized Gibbs ensemble, etc. are among the most attractive topics of investigation in modern quantum physics. One of the most interesting themes in the study of dynamics of quantum many-body systems out of equilibrium is connected with the recently proposed important concept of dynamical quantum phase transitions. During the last few years a great progress has been achieved in studying of those singularities in the time dependence of characteristics of quantum mechanical systems, in particular, in understanding how the quantum critical points of equilibrium thermodynamics affect their dynamical properties. Dynamical quantum phase transitions reveal universality, scaling, connection to the topology, and many other interesting features. Here we review the recent achievements of this quickly developing part of low-temperature quantum physics. The study of dynamical quantum phase transitions is especially important in context of their connection to the problem of the modern theory of quantum information, where namely non-equilibrium dynamics of many-body quantum system plays the major role.

  10. A Gaussian wave packet phase-space representation of quantum canonical statistics

    SciTech Connect

    Coughtrie, David J.; Tew, David P.

    2015-07-28

    We present a mapping of quantum canonical statistical averages onto a phase-space average over thawed Gaussian wave-packet (GWP) parameters, which is exact for harmonic systems at all temperatures. The mapping invokes an effective potential surface, experienced by the wave packets, and a temperature-dependent phase-space integrand, to correctly transition from the GWP average at low temperature to classical statistics at high temperature. Numerical tests on weakly and strongly anharmonic model systems demonstrate that thermal averages of the system energy and geometric properties are accurate to within 1% of the exact quantum values at all temperatures.

  11. Full counting statistics of super-Poissonian shot noise in multilevel quantum dots

    NASA Astrophysics Data System (ADS)

    Belzig, W.

    2005-04-01

    We examine the full counting statistics of quantum dots, which display super-Poissonian shot noise. By an extension to a generic situation with many excited states we identify the underlying transport process. The statistics is a sum of independent Poissonian processes of bunches of different sizes, which leads to the enhanced noise. The obtained results could be useful in determining transport characteristics in molecules and large quantum dots, since the noise (and higher cumulants) allow us to identify the internal level structure, which is not visible in the average current.

  12. A Gaussian wave packet phase-space representation of quantum canonical statistics

    NASA Astrophysics Data System (ADS)

    Coughtrie, David J.; Tew, David P.

    2015-07-01

    We present a mapping of quantum canonical statistical averages onto a phase-space average over thawed Gaussian wave-packet (GWP) parameters, which is exact for harmonic systems at all temperatures. The mapping invokes an effective potential surface, experienced by the wave packets, and a temperature-dependent phase-space integrand, to correctly transition from the GWP average at low temperature to classical statistics at high temperature. Numerical tests on weakly and strongly anharmonic model systems demonstrate that thermal averages of the system energy and geometric properties are accurate to within 1% of the exact quantum values at all temperatures.

  13. Insights into the softening of chaotic statistical models by quantum considerations

    NASA Astrophysics Data System (ADS)

    Cafaro, C.; Giffin, A.; Lupo, C.; Mancini, S.

    2012-05-01

    We analyze the information geometry and the entropic dynamics of a 3D Gaussian statistical model and compare our analysis to that of a 2D Gaussian statistical model obtained from the higher-dimensional model via introduction of an additional information constraint that resembles the quantum mechanical canonical minimum uncertainty relation. We uncover that the chaoticity of the 2D Gaussian statistical model, quantified by means of the Information Geometric Entropy (IGE), is softened with respect to the chaoticity of the 3D Gaussian statistical model.

  14. Parallelism in computational chemistry: Applications in quantum and statistical mechanics

    NASA Astrophysics Data System (ADS)

    Clementi, E.; Corongiu, G.; Detrich, J. H.; Kahnmohammadbaigi, H.; Chin, S.; Domingo, L.; Laaksonen, A.; Nguyen, N. L.

    1985-08-01

    Often very fundamental biochemical and biophysical problems defy simulations because of limitation in today's computers. We present and discuss a distributed system composed of two IBM-4341 and one IBM-4381, as front-end processors, and ten FPS-164 attached array processors. This parallel system-called LCAP-has presently a peak performance of about 120 MFlops; extensions to higher performance are discussed. Presently, the system applications use a modified version of VM/SP as the operating system: description of the modifications is given. Three applications programs have migrated from sequential to parallel; a molecular quantum mechanical, a Metropolis-Monte Carlo and a Molecular Dynamics program. Descriptions of the parallel codes are briefly outlined. As examples and tests of these applications we report on a study for proton tunneling in DNA base-pairs, very relevant to spontaneous mutations in genetics. As a second example, we present a Monte Carlo study of liquid water at room temperature where not only two- and three-body interactions are considered but-for the first time-also four-body interactions are included. Finally we briefly summarize a molecular dynamics study where two- and three-body interactions have been considered. These examples, and very positive performance comparison with today's supercomputers allow us to conclude that parallel computers and programming of the type we have considered, represent a pragmatic answer to many computer intensive problems.

  15. Statistical moments of quantum-walk dynamics reveal topological quantum transitions.

    PubMed

    Cardano, Filippo; Maffei, Maria; Massa, Francesco; Piccirillo, Bruno; de Lisio, Corrado; De Filippis, Giulio; Cataudella, Vittorio; Santamato, Enrico; Marrucci, Lorenzo

    2016-04-22

    Many phenomena in solid-state physics can be understood in terms of their topological properties. Recently, controlled protocols of quantum walk (QW) are proving to be effective simulators of such phenomena. Here we report the realization of a photonic QW showing both the trivial and the non-trivial topologies associated with chiral symmetry in one-dimensional (1D) periodic systems. We find that the probability distribution moments of the walker position after many steps can be used as direct indicators of the topological quantum transition: while varying a control parameter that defines the system phase, these moments exhibit a slope discontinuity at the transition point. Numerical simulations strongly support the conjecture that these features are general of 1D topological systems. Extending this approach to higher dimensions, different topological classes, and other typologies of quantum phases may offer general instruments for investigating and experimentally detecting quantum transitions in such complex systems.

  16. Statistics of quantum transport in weakly nonideal chaotic cavities.

    PubMed

    Rodríguez-Pérez, Sergio; Marino, Ricardo; Novaes, Marcel; Vivo, Pierpaolo

    2013-11-01

    We consider statistics of electronic transport in chaotic cavities where time-reversal symmetry is broken and one of the leads is weakly nonideal; that is, it contains tunnel barriers characterized by tunneling probabilities Γ(i). Using symmetric function expansions and a generalized Selberg integral, we develop a systematic perturbation theory in 1-Γ(i) valid for an arbitrary number of channels and obtain explicit formulas up to second order for the average and variance of the conductance and for the average shot noise. Higher moments of the conductance are considered to leading order.

  17. Emulating Anyonic Fractional Statistical Behavior in a Superconducting Quantum Circuit.

    PubMed

    Zhong, Y P; Xu, D; Wang, P; Song, C; Guo, Q J; Liu, W X; Xu, K; Xia, B X; Lu, C-Y; Han, Siyuan; Pan, Jian-Wei; Wang, H

    2016-09-09

    Anyons are exotic quasiparticles obeying fractional statistics, whose behavior can be emulated in artificially designed spin systems. Here we present an experimental emulation of creating anyonic excitations in a superconducting circuit that consists of four qubits, achieved by dynamically generating the ground and excited states of the toric code model, i.e., four-qubit Greenberger-Horne-Zeilinger states. The anyonic braiding is implemented via single-qubit rotations: a phase shift of π related to braiding, the hallmark of Abelian 1/2 anyons, has been observed through a Ramsey-type interference measurement.

  18. A transition in the spectral statistics of quantum optical model by different electromagnetic fields

    NASA Astrophysics Data System (ADS)

    Sabri, Hadi; Ezzati, Ahad ollah

    2017-02-01

    In this paper, we have considered the effects of different quantized electromagnetic fields on the spectral statistics of two-level atoms. The Berry-Robnik distribution and the maximum likelihood estimation technique are used to analyze the effect of the mean photon numbers, the two level atoms numbers and also the quantum number of considered states on the fluctuation properties of different systems which are described by different sets of the Dicke Hamiltonian's parameters. Our results describe the obvious effect of mean photon number on the spectral statistics and show more regular dynamics when this quantity reaches 700. Also, we observed universality in the spectral statistics of considered systems when the number of two level atoms approaches an unrealistic limit ( N A 200) and there are some suggestions about the effect of the quantum number of selected levels and the atom-field coupling constant on level statistics.

  19. Characterizing correlations with full counting statistics: classical Ising and quantum XY spin chains.

    PubMed

    Ivanov, Dmitri A; Abanov, Alexander G

    2013-02-01

    We propose to describe correlations in classical and quantum systems in terms of full counting statistics of a suitably chosen discrete observable. The method is illustrated with two exactly solvable examples: the classical one-dimensional Ising model and the quantum spin-1/2 XY chain. For the one-dimensional Ising model, our method results in a phase diagram with two phases distinguishable by the long-distance behavior of the Jordan-Wigner strings. For the anisotropic spin-1/2 XY chain in a transverse magnetic field, we compute the full counting statistics of the magnetization and use it to classify quantum phases of the chain. The method, in this case, reproduces the previously known phase diagram. We also discuss the relation between our approach and the Lee-Yang theory of zeros of the partition function.

  20. Quantum-statistical equilibrium and the ``law'' of constant Fermi potential

    NASA Astrophysics Data System (ADS)

    Le Coz, Yannick L.

    2003-02-01

    We apply the general quantum-statistical density-matrix formalism to an independent-electron gas within a space-dependent external electric potential, under equilibrium conditions. This problem is analogous to an ideal semiconductor homojunction diode. We solve the resulting equilibrium density-matrix equation using a perturbation theory. Next, we derive a first-order quantum correction to the classical Maxwell-Boltzmann density-potential formula. The correction appears as an added curvature term in external potential. It represents expected quantum-mechanical scattering against a spatially varying potential. Our results indicate that the commonly encountered thermodynamic or statistical-mechanical "law" of constant, equilibrium Fermi potential—with Fermi potential a parameter in the Maxwell-Boltzmann density-potential formula—is not fundamentally exact. In a general space-dependent potential, this "law," we prove, is simply a classical approximation.

  1. Simulation of anyonic statistics and its topological path independence using a seven-qubit quantum simulator

    NASA Astrophysics Data System (ADS)

    Jihyun Park, Annie; McKay, Emma; Lu, Dawei; Laflamme, Raymond

    2016-04-01

    Anyons, quasiparticles living in two-dimensional spaces with exotic exchange statistics, can serve as the fundamental units for fault-tolerant quantum computation. However, experimentally demonstrating anyonic statistics is a challenge due to the technical limitations of current experimental platforms. Here, we take a state perpetration approach to mimic anyons in the toric code using a seven-qubit nuclear magnetic resonance quantum simulator. Anyons are created by dynamically preparing the ground and excited states of a seven-qubit planar version of the toric code, and are subsequently braided along two distinct, but topologically equivalent paths. We observe that the phase acquired by the anyons is independent of the path, and coincides with the ideal theoretical predictions when decoherence and implementation errors are taken into account. As the first demonstration of the topological path independence of anyons, our experiment helps to study and exploit the anyonic properties towards the goal of building a topological quantum computer.

  2. A Semiclassical Theory on Complex Manifolds with Applications in Statistical Physics and Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Gulden, Tobias

    Increased interest in non-Hermitian quantum systems calls for the development of efficient methods to treat these. This interest was sparked by the introduction of PT-symmetry and the study of mathematical mappings which map conventional statistical or quantum mechanics onto non-Hermitian quantum operators. One of the most common methods in quantum mechanics is the semiclassial approximation which requires integration along trajectories that solve classical equations of motion. However in non-Hermitian systems these solutions are rarely attainable. We borrow concepts from algebraic topology to develop methods to avoid solving the equations of motion and avoid straightforward integration altogether. We apply these methods to solve the semiclassical problem for three largely dierent systems and demonstrate their usefulness for Hermitian and non-Hermitian systems alike.

  3. Quantum probability, choice in large worlds, and the statistical structure of reality.

    PubMed

    Ross, Don; Ladyman, James

    2013-06-01

    Classical probability models of incentive response are inadequate in "large worlds," where the dimensions of relative risk and the dimensions of similarity in outcome comparisons typically differ. Quantum probability models for choice in large worlds may be motivated pragmatically - there is no third theory - or metaphysically: statistical processing in the brain adapts to the true scale-relative structure of the universe.

  4. Emission properties of non-equilibrium krypton plasma in the water-window region

    NASA Astrophysics Data System (ADS)

    Zakharov, Vassily S.

    2017-01-01

    The line emission properties of non-equilibrium krypton plasma are examined and the optimal emission temperature conditions for soft x-ray emission output in the water-window region are explored. The kinetic parameters for non-equilibrium plasma including major inelastic ion interaction processes, radiation and emission data are obtained with an approach based on the Hartree-Fock-Slater (HFS) quantum-statistical model and a distorted wave approximation. A nonmaxwellian electron distribution is used as well for calculating collisional rates. At a temperature of 70 eV the emission spectral efficiency for Kr equilibrium plasma is about 10%, and it jumps to a value greater than 70% at 100 eV. A similar spectral efficiency is achieved at a lower temperature e.g. 80 eV in non-equilibrium plasma with 7.5 keV fast electron average energy.

  5. Introductory statistical mechanics for electron storage rings

    NASA Astrophysics Data System (ADS)

    Jowett, John M.

    1987-02-01

    These lectures concentrate on statistical phenomena in electron storage rings. A stored electron beam is a dissipative, fluctuating system far from equilibrium whose mathematical description can be based upon non-equilibrium statistical mechanics. Stochastic differential equations are used to describe the quantum fluctuations of synchrotron radiation which is the main cause of randomness in electron dynamics. Fluctuating radiation reaction forces can be described via stochastic terms in Hamilton's equations of motion. Normal modes of particle motion, radiation damping effects, quantum diffusion in single-particle phase space are all discussed in this statistical formalism. (AIP)

  6. Quantum and classical statistics of the electromagnetic zero-point field

    NASA Astrophysics Data System (ADS)

    Ibison, Michael; Haisch, Bernhard

    1996-10-01

    A classical electromagnetic zero-point field (ZPF) analog of the vacuum of quantum field theory has formed the basis for theoretical investigations in the discipline known as random or stochastic electrodynamics (SED). In SED the statistical character of quantum measurements is imitated by the introduction of a stochastic classical background electromagnetic field. Random electromagnetic fluctuations are assumed to provide perturbations which can mimic certain quantum phenomena while retaining a purely classical basis, e.g., the Casimir force, the van der Waals force, the Lamb shift, spontaneous emission, the rms radius of a quantum-mechanical harmonic oscillator, and the radius of the Bohr atom. This classical ZPF is represented as a homogeneous, isotropic ensemble of plane electromagnetic waves whose amplitude is exactly equivalent to an excitation energy of hν/2 of the corresponding quantized harmonic oscillator, this being the state of zero excitation of such an oscillator. There is thus no randomness in the classical electric-field amplitudes: Randomness is introduced entirely in the phases of the waves, which are normally distributed. Averaging over the random phases is assumed to be equivalent to taking the ground-state expectation values of the corresponding quantum operator. We demonstrate that this is not precisely correct by examining the statistics of the classical ZPF in contrast to that of the electromagnetic quantum vacuum. Starting with a general technique for the calculation of classical probability distributions for quantum state operators, we derive the distribution for the individual modes of the electric-field amplitude in the ground state as predicted by quantum field theory. We carry out the same calculation for the classical ZPF analog, and show that the distributions are only in approximate agreement, diverging as the density of k states decreases. We then introduce an alternative classical ZPF with a different stochastic character, and

  7. Sequential nonideal measurements of quantum oscillators: Statistical characterization with and without environmental coupling

    NASA Astrophysics Data System (ADS)

    Matta, Vincenzo; Pierro, Vincenzo

    2015-11-01

    A one-dimensional quantum oscillator is monitored by taking repeated position measurements. As a first contribution, it is shown that, under a quantum nondemolition measurement scheme applied to a system initially at the ground state, (i) the observed sequence of measurements (quantum tracks) corresponding to a single experiment converges to a limit point, and that (ii) the limit point is random over the ensemble of the experiments, being distributed as a zero-mean Gaussian random variable with a variance at most equal to the ground-state variance. As a second contribution, the richer scenario where the oscillator is coupled with a frozen (i.e., at the ground state) ensemble of independent quantum oscillators is considered. A sharply different behavior emerges: under the same measurement scheme, here we observe that the measurement sequences are essentially divergent. Such a rigorous statistical analysis of the sequential measurement process might be useful for characterizing the main quantities that are currently used for inference, manipulation, and monitoring of many quantum systems. Several interesting properties of the quantum tracks evolution, as well as of the associated (quantum) threshold crossing times, are discussed and the dependence upon the main system parameters (e.g., the choice of the measurement sampling time, the degree of interaction with the environment, the measurement device accuracy) is elucidated. At a more fundamental level, it is seen that, as an application of basic quantum mechanics principles, a sharp difference exists between the intrinsic randomness unavoidably present in any quantum system, and the extrinsic randomness arising from the environmental coupling, i.e., the randomness induced by an external source of disturbance.

  8. Misinterpretation of statistical distance in security of quantum key distribution shown by simulation

    NASA Astrophysics Data System (ADS)

    Iwakoshi, Takehisa; Hirota, Osamu

    2014-10-01

    This study will test an interpretation in quantum key distribution (QKD) that trace distance between the distributed quantum state and the ideal mixed state is a maximum failure probability of the protocol. Around 2004, this interpretation was proposed and standardized to satisfy both of the key uniformity in the context of universal composability and operational meaning of the failure probability of the key extraction. However, this proposal has not been verified concretely yet for many years while H. P. Yuen and O. Hirota have thrown doubt on this interpretation since 2009. To ascertain this interpretation, a physical random number generator was employed to evaluate key uniformity in QKD. In this way, we calculated statistical distance which correspond to trace distance in quantum theory after a quantum measurement is done, then we compared it with the failure probability whether universal composability was obtained. As a result, the degree of statistical distance of the probability distribution of the physical random numbers and the ideal uniformity was very large. It is also explained why trace distance is not suitable to guarantee the security in QKD from the view point of quantum binary decision theory.

  9. Nonequilibrium Casimir-Polder plasmonic interactions

    SciTech Connect

    Bartolo, Nicola; Messina, Riccardo; Dalvit, Diego Alejandro Roberto; Intravaia, Francesco

    2016-04-18

    Here we investigate how the combination of nonequilibrium effects and material properties impacts on the Casimir-Polder interaction between an atom and a surface. By addressing systems with temperature inhomogeneities and laser interactions, we show that nonmonotonous energetic landscapes can be produced where barriers and minima appear. Lastly, our treatment provides a self-consistent quantum theoretical framework for investigating the properties of a class of nonequilibrium atom-surface interactions.

  10. Steepest entropy ascent model for far-nonequilibrium thermodynamics: Unified implementation of the maximum entropy production principle

    NASA Astrophysics Data System (ADS)

    Beretta, Gian Paolo

    2014-10-01

    states. The mathematical frameworks we consider are the following: (A) statistical or information-theoretic models of relaxation; (B) small-scale and rarefied gas dynamics (i.e., kinetic models for the Boltzmann equation); (C) rational extended thermodynamics, macroscopic nonequilibrium thermodynamics, and chemical kinetics; (D) mesoscopic nonequilibrium thermodynamics, continuum mechanics with fluctuations; and (E) quantum statistical mechanics, quantum thermodynamics, mesoscopic nonequilibrium quantum thermodynamics, and intrinsic quantum thermodynamics.

  11. Ehrenfest-time dependence of quantum transport corrections and spectral statistics.

    PubMed

    Waltner, Daniel; Kuipers, Jack

    2010-12-01

    The Ehrenfest-time scale in quantum transport separates essentially classical propagation from wave interference and here we consider its effect on the transmission and reflection through quantum dots. In particular, we calculate the Ehrenfest-time dependence of the next-to-leading-order quantum corrections to the transmission and reflection for dc and ac transport and check that our results are consistent with current conservation relations. Looking as well at spectral statistics in closed systems, we finally demonstrate how the contributions analyzed here imply changes in the calculation, given by Brouwer [Phys. Rev. E 74, 066208 (2006)], of the next-to-leading order of the spectral form factor. Our semiclassical result coincides with the result obtained by Tian and Larkin [Phys. Rev. B 70, 035305 (2004)] by field-theoretical methods.

  12. Nodal Domain Statistics for Quantum Maps, Percolation, and Stochastic Loewner Evolution

    SciTech Connect

    Keating, J. P.; Marklof, J.; Williams, I. G.

    2006-07-21

    We develop a percolation model for nodal domains in the eigenvectors of quantum chaotic torus maps. Our model follows directly from the assumption that the quantum maps are described by random matrix theory. Its accuracy in predicting statistical properties of the nodal domains is demonstrated for perturbed cat maps and supports the use of percolation theory to describe the wave functions of general Hamiltonian systems. We also demonstrate that the nodal domains of the perturbed cat maps obey the Cardy crossing formula and find evidence that the boundaries of the nodal domains are described by stochastic Loewner evolution with diffusion constant {kappa} close to the expected value of 6, suggesting that quantum chaotic wave functions may exhibit conformal invariance in the semiclassical limit.

  13. Negative differential conductivity and quantum statistical effects in a three-site Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Olsen, M. K.; Corney, J. F.

    2016-09-01

    The use of an electron beam to remove ultracold atoms from selected sites in an optical lattice has opened up new opportunities to study transport in quantum systems [R. Labouvie et al., Phys. Rev. Lett. 115, 050601 (2015), 10.1103/PhysRevLett.115.050601]. Inspired by this experimental result, we examine the effects of number difference, dephasing, and initial quantum statistics on the filling of an initially depleted middle well in the three-well inline Bose-Hubbard model. We find that the well-known phenomenon of macroscopic self-trapping is the main contributor to oscillatory negative differential conductivity in our model, with phase diffusion being a secondary effect. However, we find that phase diffusion is required for the production of direct atomic current, with the coherent process showing damped oscillatory currents. We also find that our results are highly dependent on the initial quantum states of the atoms in the system.

  14. A mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon tetrachloride mixtures III: nonequilibrium hydrogen-bond dynamics and infrared pump-probe spectra.

    PubMed

    Kwac, Kijeong; Geva, Eitan

    2013-06-27

    We present a mixed quantum-classical molecular dynamics study of the nonequilibrium hydrogen-bond dynamics following vibrational energy relaxation of the hydroxyl stretch in a 10 mol % methanol/carbon tetrachloride mixture and pure methanol. The ground and first-excited energy levels and wave functions are identified with the eigenvalues and eigenfunctions of the hydroxyl's adiabatic Hamiltonian and as such depend parametrically on the configuration of the remaining, classically treated, degrees of freedom. The dynamics of the classical degrees of freedom are in turn governed by forces obtained by taking the expectation value of the force with respect to the ground or excited vibrational wave functions. Polarizable force fields and nonlinear mapping relations between the hydroxyl transition frequencies and dipole moments and the electric field along the hydroxyl bond are used, which were previously shown to quantitatively reproduce the experimental infrared steady-state absorption spectra and excited state lifetime [Kwac, K.; Geva, E. J. Phys. Chem. B 2011, 115, 9184; 2012, 116, 2856]. The relaxation from the first-excited state to the ground state is treated as a nonadiabatic transition. Within the mixed quantum-classical treatment, relaxation from the excited state to the ground state is accompanied by a momentum-jump in the classical degrees of freedom, which is in turn dictated by the nonadiabatic coupling vector. We find that the momentum jump leads to breaking of hydrogen bonds involving the relaxing hydroxyl, thereby blue-shifting the transition frequency by more than the Stokes shift between the steady-state emission and absorption spectra. The subsequent nonequilibrium relaxation toward equilibrium on the ground state potential energy surface is thereby accompanied by red shifting of the transition frequency. The signature of this nonequilibrium relaxation process on the pump-probe spectrum is analyzed in detail. The calculated pump-probe spectrum is found

  15. Initial and apparent temperatures of finite nuclear systems - a quantum statistical thermodynamics study.

    NASA Astrophysics Data System (ADS)

    Majka; Staszel, P.; Natowitz, J. B.; Cibor, J.; Hagel, K.; Li, J.; Mdeiwayeh, N.; Wada, R.; Zhao, Y.

    1996-10-01

    Quantum statistical thermodynamics has been used to calculate the number of available states and their occupation for fermions and bosons at temperature, T_in, of finite nuclear sytems. An apparent temperature of these systems, T_app, has been calculated from double yield ratios of two isotope pairs. The importance of employing the quantum statistics when high densities and/or low temperatures are involved is shown. However, at high temperatures and low densities, the system behaves as a Maxwell-Boltzmann gas. Sequental decays of fragments from excited states influence the double yield ratio observable, causing problems with the temperature extraction. The model has been applied to study the high temperature branch of the "caloric curve".

  16. Absorbing State Phase Transition with Competing Quantum and Classical Fluctuations.

    PubMed

    Marcuzzi, Matteo; Buchhold, Michael; Diehl, Sebastian; Lesanovsky, Igor

    2016-06-17

    Stochastic processes with absorbing states feature examples of nonequilibrium universal phenomena. While the classical regime has been thoroughly investigated in the past, relatively little is known about the behavior of these nonequilibrium systems in the presence of quantum fluctuations. Here, we theoretically address such a scenario in an open quantum spin model which, in its classical limit, undergoes a directed percolation phase transition. By mapping the problem to a nonequilibrium field theory, we show that the introduction of quantum fluctuations stemming from coherent, rather than statistical, spin flips alters the nature of the transition such that it becomes first order. In the intermediate regime, where classical and quantum dynamics compete on equal terms, we highlight the presence of a bicritical point with universal features different from the directed percolation class in a low dimension. We finally propose how this physics could be explored within gases of interacting atoms excited to Rydberg states.

  17. Absorbing State Phase Transition with Competing Quantum and Classical Fluctuations

    NASA Astrophysics Data System (ADS)

    Marcuzzi, Matteo; Buchhold, Michael; Diehl, Sebastian; Lesanovsky, Igor

    2016-06-01

    Stochastic processes with absorbing states feature examples of nonequilibrium universal phenomena. While the classical regime has been thoroughly investigated in the past, relatively little is known about the behavior of these nonequilibrium systems in the presence of quantum fluctuations. Here, we theoretically address such a scenario in an open quantum spin model which, in its classical limit, undergoes a directed percolation phase transition. By mapping the problem to a nonequilibrium field theory, we show that the introduction of quantum fluctuations stemming from coherent, rather than statistical, spin flips alters the nature of the transition such that it becomes first order. In the intermediate regime, where classical and quantum dynamics compete on equal terms, we highlight the presence of a bicritical point with universal features different from the directed percolation class in a low dimension. We finally propose how this physics could be explored within gases of interacting atoms excited to Rydberg states.

  18. Measurement-device-independent quantum key distribution with source state errors and statistical fluctuation

    NASA Astrophysics Data System (ADS)

    Jiang, Cong; Yu, Zong-Wen; Wang, Xiang-Bin

    2017-03-01

    We show how to calculate the secure final key rate in the four-intensity decoy-state measurement-device-independent quantum key distribution protocol with both source errors and statistical fluctuations with a certain failure probability. Our results rely only on the range of only a few parameters in the source state. All imperfections in this protocol have been taken into consideration without assuming any specific error patterns of the source.

  19. A reciprocal of Coleman's theorem and the quantum statistics of systems with spontaneous symmetry breaking

    NASA Astrophysics Data System (ADS)

    Chaichian, M.; Montonen, C.; Pérez Rojas, H.

    1991-03-01

    The completely different conservation properties of charges associated to unbroken and broken symmetries are discussed. The impossibility of establishing a conservation law for nondegenerate Hilbert space representations in the broken case leads to a reciprocal of Coleman's theorem. The quantum statistical implication is that these charges cannot be introduced as conserved operators in the density matrix. On leave of absence from Instituto de Cibernética, Matemática y Fisica (ICIMAF), Calle 0#8, Vedado, Havana 4, Cuba.

  20. Periodic orbit theory and the statistical analysis of scaling quantum graph spectra.

    PubMed

    Dabaghian, Yu

    2007-05-01

    The explicit solution to the spectral problem of quantum graphs found recently by Dabaghian and Blümel [Phys. Rev. E 68, 055201(R) (2003); 70, 046206 (2004); JETP Lett. 77, 530 (2003)] is used to produce an exact periodic orbit theory description for the probability distributions of spectral statistics, including the distribution for the nearest neighbor separations sn = kn - kn-1, and the distribution of the spectral oscillations around the average, deltakn=kn - kn.

  1. Quantum statistics of classical particles derived from the condition of a free diffusion coefficient

    NASA Astrophysics Data System (ADS)

    Hoyuelos, M.; Sisterna, P.

    2016-12-01

    We derive an equation for the current of particles in energy space; particles are subject to a mean-field effective potential that may represent quantum effects. From the assumption that noninteracting particles imply a free diffusion coefficient in energy space, we derive Maxwell-Boltzmann, Fermi-Dirac, and Bose-Einstein statistics. Other new statistics are associated to a free diffusion coefficient; their thermodynamic properties are analyzed using the grand partition function. A negative relation between pressure and energy density for low temperatures can be derived, suggesting a possible connection with cosmological dark energy models.

  2. Spectral statistics for the evolution operator of a quantum particle showing chaotic diffusion of the coordinate

    SciTech Connect

    Kolovsky, A.R.

    1997-08-01

    We study the spectral properties of the evolution operator of a quantum particle subject to a space-periodic time-dependent potential. Two qualitatively different regimes of the system dynamics are compared: case (i), when the spreading of the wave packet is asymptotically ballistic; and case (ii), when the wave packet spreads diffusively. As time increases, the spectrum is shown to approach Poisson statistics in case (i) and circular unitary ensemble statistics in case (ii). A scaling relation for the velocity and curvature distributions of the spectral bands are found. {copyright} {ital 1997} {ital The American Physical Society}

  3. Quantum statistics and anharmonicity in the thermodynamics of spin waves in ferromagnetic metals.

    PubMed

    Wen, Haohua; Woo, C H

    2016-09-01

    The average energy needed to create a magnon is high in ferromagnetic metals due to the high-strength spin stiffness, which results in strong quantization effects that could be important even at thousands of degrees. To take into account quantum statistics at such high temperatures, the associated effects of anharmonicity of the spin vibrations must be taken into account. In addition to the complex nature of such effects, anharmonicity also affects the occupation of the density of state of the vibration states in the context of quantum statistics. Thus, an unoccupied vibration state might become occupied when its spring stiffness is substantially reduced with anharmonicity. Combined effects of quantum statistics and anharmonicity are expected. In this regard, the thermodynamics of ferromagnetic metals are investigated in this paper through the example of bcc iron between 10 and 1400 K. Theoretical analysis and spin-lattice dynamic simulations are performed, through which the physics behind the complex and dramatic temperature dependence of the thermodynamic functions of bcc iron is understood.

  4. Quantum statistics and anharmonicity in the thermodynamics of spin waves in ferromagnetic metals

    NASA Astrophysics Data System (ADS)

    Wen, Haohua; Woo, C. H.

    2016-09-01

    The average energy needed to create a magnon is high in ferromagnetic metals due to the high-strength spin stiffness, which results in strong quantization effects that could be important even at thousands of degrees. To take into account quantum statistics at such high temperatures, the associated effects of anharmonicity of the spin vibrations must be taken into account. In addition to the complex nature of such effects, anharmonicity also affects the occupation of the density of state of the vibration states in the context of quantum statistics. Thus, an unoccupied vibration state might become occupied when its spring stiffness is substantially reduced with anharmonicity. Combined effects of quantum statistics and anharmonicity are expected. In this regard, the thermodynamics of ferromagnetic metals are investigated in this paper through the example of bcc iron between 10 and 1400 K. Theoretical analysis and spin-lattice dynamic simulations are performed, through which the physics behind the complex and dramatic temperature dependence of the thermodynamic functions of bcc iron is understood.

  5. Quantum statistics and squeezing for a microwave-driven interacting magnon system

    NASA Astrophysics Data System (ADS)

    Haghshenasfard, Zahra; Cottam, Michael G.

    2017-02-01

    Theoretical studies are reported for the statistical properties of a microwave-driven interacting magnon system. Both the magnetic dipole-dipole and the exchange interactions are included and the theory is developed for the case of parallel pumping allowing for the inclusion of the nonlinear processes due to the four-magnon interactions. The method of second quantization is used to transform the total Hamiltonian from spin operators to boson creation and annihilation operators. By using the coherent magnon state representation we have studied the magnon occupation number and the statistical behavior of the system. In particular, it is shown that the nonlinearities introduced by the parallel pumping field and the four-magnon interactions lead to non-classical quantum statistical properties of the system, such as magnon squeezing. Also control of the collapse-and-revival phenomena for the time evolution of the average magnon number is demonstrated by varying the parallel pumping amplitude and the four-magnon coupling.

  6. Transmission phase of a quantum dot and statistical fluctuations of partial-width amplitudes.

    PubMed

    Jalabert, Rodolfo A; Weick, Guillaume; Weidenmüller, Hans A; Weinmann, Dietmar

    2014-05-01

    Experimentally, the phase of the amplitude for electron transmission through a quantum dot (transmission phase) shows the same pattern between consecutive resonances. Such universal behavior, found for long sequences of resonances, is caused by correlations of the signs of the partial-width amplitudes of the resonances. We investigate the stability of these correlations in terms of a statistical model. For a classically chaotic dot, the resonance eigenfunctions are assumed to be Gaussian distributed. Under this hypothesis, statistical fluctuations are found to reduce the tendency towards universal phase evolution. Long sequences of resonances with universal behavior only persist in the semiclassical limit of very large electron numbers in the dot and for specific energy intervals. Numerical calculations qualitatively agree with the statistical model but quantitatively are closer to universality.

  7. A mixed quantum-classical molecular dynamics study of anti-tetrol and syn-tetrol dissolved in liquid chloroform II: infrared emission spectra, vibrational excited-state lifetimes, and nonequilibrium hydrogen-bond dynamics.

    PubMed

    Kwac, Kijeong; Geva, Eitan

    2013-11-21

    The effect of vibrational excitation and relaxation of the hydroxyl stretch on the hydrogen-bond structure and dynamics of stereoselectively synthesized syn-tetrol and anti-tetrol dissolved in deuterated chloroform are investigated via a mixed quantum-classical molecular dynamics simulation. Emphasis is placed on the changes in hydrogen-bond structure upon photoexcitation and the nonequilibrium hydrogen-bond dynamics that follows the subsequent relaxation from the excited to the ground vibrational state. The propensity to form hydrogen bonds is shown to increase upon photoexcitation of the hydroxyl stretch, thereby leading to a sizable red-shift of the infrared emission spectra relative to the corresponding absorption spectra. The vibrational excited state lifetimes are calculated within the framework of Fermi's golden rule and the harmonic-Schofield quantum correction factor, and found to be sensitive reporters of the underlying hydrogen-bond structure. The energy released during the relaxation from the excited to the ground state is shown to break hydrogen bonds involving the relaxing hydroxyl. The spectral signature of this nonequilibrium relaxation process is analyzed in detail.

  8. Non-Abelian statistics and topological quantum information processing in 1D wire networks

    NASA Astrophysics Data System (ADS)

    Alicea, Jason; Oreg, Yuval; Refael, Gil; von Oppen, Felix; Fisher, Matthew P. A.

    2011-03-01

    Topological quantum computation provides an elegant way around decoherence, as one encodes quantum information in a non-local fashion that the environment finds difficult to corrupt. Here we establish that one of the key operations---braiding of non-Abelian anyons---can be implemented in one-dimensional semiconductor wire networks. Previous work [Lutchyn et al., arXiv:1002.4033 and Oreg et al., arXiv:1003.1145] provided a recipe for driving semiconducting wires into a topological phase supporting long-sought particles known as Majorana fermions that can store topologically protected quantum information. Majorana fermions in this setting can be transported, created, and fused by applying locally tunable gates to the wire. More importantly, we show that networks of such wires allow braiding of Majorana fermions and that they exhibit non-Abelian statistics like vortices in a p+ip superconductor. We propose experimental setups that enable the Majorana fusion rules to be probed, along with networks that allow for efficient exchange of arbitrary numbers of Majorana fermions. This work paves a new path forward in topological quantum computation that benefits from physical transparency and experimental realism.

  9. Hierarchical Statistical 3D ' Atomistic' Simulation of Decanano MOSFETs: Drift-Diffusion, Hydrodynamic and Quantum Mechanical Approaches

    NASA Technical Reports Server (NTRS)

    Asenov, Asen; Brown, A. R.; Slavcheva, G.; Davies, J. H.

    2000-01-01

    voltage only single solution of the nonlinear Poisson equation is sufficient to extract the current with satisfactory accuracy. A pilot version of a hydrodynamic 'atomistic' simulator has been developed in order to study the effect of the nonequilibrium, non local transport in decanano MOSFETs on the random dopant induced current fluctuations. For the first time we have also applied the density gradient approach in 3D to investigate the effect of the quantum confinement on the threshold voltage fluctuations. The developed 'atomistic' simulation techniques have been applied to study various fluctuation resistant MOSFET architectures including epitaxial and delta doped devices.

  10. Statistical-fluctuation analysis for quantum key distribution with consideration of after-pulse contributions

    NASA Astrophysics Data System (ADS)

    Li, Hongxin; Jiang, Haodong; Gao, Ming; Ma, Zhi; Ma, Chuangui; Wang, Wei

    2015-12-01

    The statistical fluctuation problem is a critical factor in all quantum key distribution (QKD) protocols under finite-key conditions. The current statistical fluctuation analysis is mainly based on independent random samples, however, the precondition cannot always be satisfied because of different choices of samples and actual parameters. As a result, proper statistical fluctuation methods are required to solve this problem. Taking the after-pulse contributions into consideration, this paper gives the expression for the secure key rate and the mathematical model for statistical fluctuations, focusing on a decoy-state QKD protocol [Z.-C. Wei et al., Sci. Rep. 3, 2453 (2013), 10.1038/srep02453] with a biased basis choice. On this basis, a classified analysis of statistical fluctuation is represented according to the mutual relationship between random samples. First, for independent identical relations, a deviation comparison is made between the law of large numbers and standard error analysis. Second, a sufficient condition is given that the Chernoff bound achieves a better result than Hoeffding's inequality based on only independent relations. Third, by constructing the proper martingale, a stringent way is proposed to deal issues based on dependent random samples through making use of Azuma's inequality. In numerical optimization, the impact on the secure key rate, the comparison of secure key rates, and the respective deviations under various kinds of statistical fluctuation analyses are depicted.

  11. Sanov and central limit theorems for output statistics of quantum Markov chains

    SciTech Connect

    Horssen, Merlijn van; Guţă, Mădălin

    2015-02-15

    In this paper, we consider the statistics of repeated measurements on the output of a quantum Markov chain. We establish a large deviations result analogous to Sanov’s theorem for the multi-site empirical measure associated to finite sequences of consecutive outcomes of a classical stochastic process. Our result relies on the construction of an extended quantum transition operator (which keeps track of previous outcomes) in terms of which we compute moment generating functions, and whose spectral radius is related to the large deviations rate function. As a corollary to this, we obtain a central limit theorem for the empirical measure. Such higher level statistics may be used to uncover critical behaviour such as dynamical phase transitions, which are not captured by lower level statistics such as the sample mean. As a step in this direction, we give an example of a finite system whose level-1 (empirical mean) rate function is independent of a model parameter while the level-2 (empirical measure) rate is not.

  12. Thermodynamics of ideal quantum gas with fractional statistics in D dimensions.

    PubMed

    Potter, Geoffrey G; Müller, Gerhard; Karbach, Michael

    2007-06-01

    We present exact and explicit results for the thermodynamic properties (isochores, isotherms, isobars, response functions, velocity of sound) of a quantum gas in dimensions D > or = 1 and with fractional exclusion statistics 0 < or = g < or =1 connecting bosons (g=0) and fermions (g=1) . In D=1 the results are equivalent to those of the Calogero-Sutherland model. Emphasis is given to the crossover between bosonlike and fermionlike features, caused by aspects of the statistical interaction that mimic long-range attraction and short-range repulsion. A phase transition along the isobar occurs at a nonzero temperature in all dimensions. The T dependence of the velocity of sound is in simple relation to isochores and isobars. The effects of soft container walls are accounted for rigorously for the case of a pure power-law potential.

  13. On a General Formalism of Nonlinear Charge Coherent States, Their Quantum Statistics and Nonclassical Properties

    NASA Astrophysics Data System (ADS)

    Eftekhari, F.; Tavassoly, M. K.

    In this paper, we will present a general formalism for constructing the nonlinear charge coherent states which in special case lead to the standard charge coherent states. The suQ(1, 1) algebra as a nonlinear deformed algebra realization of the introduced states is established. In addition, the corresponding even and odd nonlinear charge coherent states have also been introduced. The formalism has the potentiality to be applied to systems either with known "nonlinearity function" f(n) or solvable quantum system with known "discrete nondegenerate spectrum" en. As some physical appearances, a few known physical systems in the two mentioned categories have been considered. Finally, since the construction of nonclassical states is a central topic of quantum optics, nonclassical features and quantum statistical properties of the introduced states have been investigated by evaluating single- and two-mode squeezing, su(1, 1)-squeezing, Mandel parameter and antibunching effect (via g-correlation function) as well as some of their generalized forms we have introduced in the present paper.

  14. Statistical theory of relaxation of high-energy electrons in quantum Hall edge states

    NASA Astrophysics Data System (ADS)

    Lunde, Anders Mathias; Nigg, Simon E.

    2016-07-01

    We investigate theoretically the energy exchange between the electrons of two copropagating, out-of-equilibrium edge states with opposite spin polarization in the integer quantum Hall regime. A quantum dot tunnel coupled to one of the edge states locally injects electrons at high energy. Thereby a narrow peak in the energy distribution is created at high energy above the Fermi level. A second downstream quantum dot performs an energy-resolved measurement of the electronic distribution function. By varying the distance between the two dots, we are able to follow every step of the energy exchange and relaxation between the edge states, even analytically under certain conditions. In the absence of translational invariance along the edge, e.g., due to the presence of disorder, energy can be exchanged by non-momentum-conserving two-particle collisions. For weakly broken translational invariance, we show that the relaxation is described by coupled Fokker-Planck equations. From these we find that relaxation of the injected electrons can be understood statistically as a generalized drift-diffusion process in energy space for which we determine the drift velocity and the dynamical diffusion parameter. Finally, we provide a physically appealing picture in terms of individual edge-state heating as a result of the relaxation of the injected electrons.

  15. Deterministic quantum evolution through modification of the hypotheses of statistical mechanics

    SciTech Connect

    Schulman, L.S.

    1986-02-01

    It is claimed that for all apparatus capable of performing macroscopic measurements of microscopic systems there exist special internal states for which deterministic quantum evolution alone yields a particular macroscopic outcome rather than a superposition of macroscopically distinct outcomes. Schulman maintains that these special states are distributed uniformly (in a certain sense) among the set of all states. He postulates that in the absence of precise information on apparatus initial conditions one should give equal weight to those microstates that are consistent with the macroscopic state and are special in the sense used above. Evidence is presented for this postulate's recovering the usual quantum probabilities. This theory is fully deterministic, has no collapsing wave functions, and offers a resolution of the quantum measurement problem through a revision of the usual statistical mechanical handling of initial conditions. It requires a single wave function for the entire universe and an all-encompassing conspiracy to arrange the right sort of special wave function for each experiment. As an example Schulman considers a Stern-Gerlach apparatus that measures the z component of the spin of silver atoms that pass through it. Although Schulman does not provide physical or philosophical justification for his central hypothesis, some perspective is given by examining the notions implicit in the usual principles of thermodynamics.

  16. A Quantitative Model for the Thermocouple Effect Using Statistical and Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Bramley, Paul; Clark, Stewart

    2003-09-01

    This paper employs statistical and quantum mechanics to develop a model for the mechanism underlying the Seebeck effect. The conventional view of the equilibrium criterion for valence electrons in a material is that the Fermi Energy should be constant throughout the system. However, this criterion is an approximation and it is shown to be inadequate for thermocouple systems. An improved equilibrium criterion is developed by applying statistical and quantum mechanics to determine the total flow of electrons across an arbitrary boundary within a system. Dynamic equilibrium is then considered to be the situation where the Fermi Energy either side of the boundary is such that the flow of electrons in each direction is the same. This equilibrium criterion is then applied to the conditions along the thermocouple wires and at the junctions in order to generate a model for the Seebeck effect. The equations involved for calculating the electronic structure of a material cannot be solved analytically, so a solution is achieved using numeric models employing CASTEP code running on a Sun Beowulf cluster and iterative algorithms written in the Excel™ VBA language on a PC. The model is used to calculate the EMF versus temperature function for the gold versus platinum thermocouple, which is then compared with established experimental data.

  17. Energy dependent dynamics of the O(1D) + HCl reaction: a quantum, quasiclassical and statistical study.

    PubMed

    Bargueño, P; Jambrina, P G; Alvariño, J M; Menéndez, M; Verdasco, E; Hankel, M; Smith, S C; Aoiz, F J; González-Lezana, T

    2011-05-14

    The dynamics of the reaction O((1)D) + HCl → ClO + H, OH + Cl has been investigated in detail by means of a time-dependent wave packet (TDWP) method in comparison with quasiclassical trajectory (QCT) and statistical approaches on the ground potential energy surface by Martínez et al. [Phys. Chem. Chem. Phys., 2000, 2, 589]. Fully coupled quantum mechanical (QM) reaction probabilities for high values of the total angular momentum (J≤ 50) are reported for the first time. At the low collision energy regime (E(c)≤ 0.4 eV) the TDWP probabilities are well reproduced by the QCT and statistical results for the ClO forming product channel, but for the OH + Cl arrangement, only QCT probabilities are found to agree with the QM values. The good accordance found between the rigorous statistical models and the dynamical QM and QCT calculations for the O + HCl → ClO + H process underpins the assumption that the reaction pathway leading to ClO is predominantly governed by a complex-forming mechanism. In addition, to further test the statistical character of this reaction channel, the laboratory angular distribution and time-of-flight spectra obtained in a crossed molecular beam study by Balucani et al. [Chem. Phys. Lett. 1991, 180, 34] at a collision energy as high as 0.53 eV have been simulated using the state resolved differential cross section obtained with the statistical approaches yielding a satisfactory agreement with the experimental results. For the other channel, O + HCl → OH + Cl, noticeable differences between the statistical results and those found with the QCT calculation suggest that the dynamics of the reaction are controlled by a direct mechanism. The comparison between the QCT and QM-TDWP results in the whole range of collision energies lends credence to the QCT description of the dynamics of this reaction.

  18. Symmetry and the thermodynamics of currents in open quantum systems

    NASA Astrophysics Data System (ADS)

    Manzano, Daniel; Hurtado, Pablo I.

    2014-09-01

    Symmetry is a powerful concept in physics, and its recent application to understand nonequilibrium behavior is providing deep insights and groundbreaking exact results. Here we show how to harness symmetry to control transport and statistics in open quantum systems. Such control is enabled by a first-order-type dynamic phase transition in current statistics and the associated coexistence of different transport channels (or nonequilibrium steady states) classified by symmetry. Microreversibility then ensues, via the Gallavotti-Cohen fluctuation theorem, a twin dynamic phase transition for rare current fluctuations. Interestingly, the symmetry present in the initial state is spontaneously broken at the fluctuating level, where the quantum system selects the symmetry sector that maximally facilitates a given fluctuation. We illustrate these results in a qubit network model motivated by the problem of coherent energy harvesting in photosynthetic complexes, and introduce the concept of a symmetry-controlled quantum thermal switch, suggesting symmetry-based design strategies for quantum devices with controllable transport properties.

  19. Number-resolved master equation approach to quantum measurement and quantum transport

    NASA Astrophysics Data System (ADS)

    Li, Xin-Qi

    2016-08-01

    In addition to the well-known Landauer-Büttiker scattering theory and the nonequilibrium Green's function technique for mesoscopic transports, an alternative (and very useful) scheme is quantum master equation approach. In this article, we review the particle-number ( n)-resolved master equation ( n-ME) approach and its systematic applications in quantum measurement and quantum transport problems. The n-ME contains rich dynamical information, allowing efficient study of topics such as shot noise and full counting statistics analysis. Moreover, we also review a newly developed master equation approach (and its n-resolved version) under self-consistent Born approximation. The application potential of this new approach is critically examined via its ability to recover the exact results for noninteracting systems under arbitrary voltage and in presence of strong quantum interference, and the challenging non-equilibrium Kondo effect.

  20. Plasma analogy and non-Abelian statistics for Ising-type quantum Hall states

    SciTech Connect

    Bonderson, Parsa; Gurarie, Victor; Nayak, Chetan

    2011-02-15

    We study the non-Abelian statistics of quasiparticles in the Ising-type quantum Hall states which are likely candidates to explain the observed Hall conductivity plateaus in the second Landau level, most notably the one at filling fraction {nu}=5/2. We complete the program started in V. Gurarie and C. Nayak, [Nucl. Phys. B 506, 685 (1997)]. and show that the degenerate four-quasihole and six-quasihole wave functions of the Moore-Read Pfaffian state are orthogonal with equal constant norms in the basis given by conformal blocks in a c=1+(1/2) conformal field theory. As a consequence, this proves that the non-Abelian statistics of the excitations in this state are given by the explicit analytic continuation of these wave functions. Our proof is based on a plasma analogy derived from the Coulomb gas construction of Ising model correlation functions involving both order and (at most two) disorder operators. We show how this computation also determines the non-Abelian statistics of collections of more than six quasiholes and give an explicit expression for the corresponding conformal block-derived wave functions for an arbitrary number of quasiholes. Our method also applies to the anti-Pfaffian wave function and to Bonderson-Slingerland hierarchy states constructed over the Moore-Read and anti-Pfaffian states.

  1. Statistical analysis of error rate of large-scale single flux quantum logic circuit by considering fluctuation of timing parameters

    NASA Astrophysics Data System (ADS)

    Yamanashi, Yuki; Masubuchi, Kota; Yoshikawa, Nobuyuki

    2016-11-01

    The relationship between the timing margin and the error rate of the large-scale single flux quantum logic circuits is quantitatively investigated to establish a timing design guideline. We observed that the fluctuation in the set-up/hold time of single flux quantum logic gates caused by thermal noises is the most probable origin of the logical error of the large-scale single flux quantum circuit. The appropriate timing margin for stable operation of the large-scale logic circuit is discussed by taking the fluctuation of setup/hold time and the timing jitter in the single flux quantum circuits. As a case study, the dependence of the error rate of the 1-million-bit single flux quantum shift register on the timing margin is statistically analyzed. The result indicates that adjustment of timing margin and the bias voltage is important for stable operation of a large-scale SFQ logic circuit.

  2. Statistical interpretation of transient current power-law decay in colloidal quantum dot arrays

    NASA Astrophysics Data System (ADS)

    Sibatov, R. T.

    2011-08-01

    A new statistical model of the charge transport in colloidal quantum dot arrays is proposed. It takes into account Coulomb blockade forbidding multiple occupancy of nanocrystals and the influence of energetic disorder of interdot space. The model explains power-law current transients and the presence of the memory effect. The fractional differential analogue of the Ohm law is found phenomenologically for nanocrystal arrays. The model combines ideas that were considered as conflicting by other authors: the Scher-Montroll idea about the power-law distribution of waiting times in localized states for disordered semiconductors is applied taking into account Coulomb blockade; Novikov's condition about the asymptotic power-law distribution of time intervals between successful current pulses in conduction channels is fulfilled; and the carrier injection blocking predicted by Ginger and Greenham (2000 J. Appl. Phys. 87 1361) takes place.

  3. Quantum-statistical T-matrix approach to line broadening of hydrogen in dense plasmas

    SciTech Connect

    Lorenzen, Sonja; Wierling, August; Roepke, Gerd; Reinholz, Heidi; Zammit, Mark C.; Fursa, Dmitry V.; Bray, Igor

    2010-10-29

    The electronic self-energy {Sigma}{sup e} is an important input in a quantum-statistical theory for spectral line profile calculations. It describes the influence of plasma electrons on bound state properties. In dense plasmas, the effect of strong, i.e. close, electron-emitter collisions can be considered by three-particle T-matrix diagrams. These digrams are approximated with the help of an effective two-particle T-matrix, which is obtained from convergent close-coupling calculations with Debye screening. A comparison with other theories is carried out for the 2p level of hydrogen at k{sub B}T = 1 eV and n{sub e} = 2{center_dot}10{sup 23} m{sup -3}, and results are given for n{sub e} = 1{center_dot}10{sup 25} m{sup -3}.

  4. Statistical mechanics of Coulomb gases as quantum theory on Riemann surfaces

    SciTech Connect

    Gulden, T.; Janas, M.; Koroteev, P.; Kamenev, A.

    2013-09-15

    Statistical mechanics of a 1D multivalent Coulomb gas can be mapped onto non-Hermitian quantum mechanics. We use this example to develop the instanton calculus on Riemann surfaces. Borrowing from the formalism developed in the context of the Seiberg-Witten duality, we treat momentum and coordinate as complex variables. Constant-energy manifolds are given by Riemann surfaces of genus g {>=} 1. The actions along principal cycles on these surfaces obey the ordinary differential equation in the moduli space of the Riemann surface known as the Picard-Fuchs equation. We derive and solve the Picard-Fuchs equations for Coulomb gases of various charge content. Analysis of monodromies of these solutions around their singular points yields semiclassical spectra as well as instanton effects such as the Bloch bandwidth. Both are shown to be in perfect agreement with numerical simulations.

  5. Two-time Green's functions and spectral density method in nonextensive quantum statistical mechanics.

    PubMed

    Cavallo, A; Cosenza, F; De Cesare, L

    2008-05-01

    We extend the formalism of the thermodynamic two-time Green's functions to nonextensive quantum statistical mechanics. Working in the optimal Lagrangian multiplier representation, the q -spectral properties and the methods for a direct calculation of the two-time q Green's functions and the related q -spectral density ( q measures the nonextensivity degree) for two generic operators are presented in strict analogy with the extensive (q=1) counterpart. Some emphasis is devoted to the nonextensive version of the less known spectral density method whose effectiveness in exploring equilibrium and transport properties of a wide variety of systems has been well established in conventional classical and quantum many-body physics. To check how both the equations of motion and the spectral density methods work to study the q -induced nonextensivity effects in nontrivial many-body problems, we focus on the equilibrium properties of a second-quantized model for a high-density Bose gas with strong attraction between particles for which exact results exist in extensive conditions. Remarkably, the contributions to several thermodynamic quantities of the q -induced nonextensivity close to the extensive regime are explicitly calculated in the low-temperature regime by overcoming the calculation of the q grand-partition function.

  6. Exponential and mixture families in quantum statistics: Dual structure and unbiased parameter estimation

    NASA Astrophysics Data System (ADS)

    Hasegawa, Hiroshi

    1997-02-01

    The differential-geometric formulation of statistics (the so-called information geometry) concerning the structure of a smooth manifold in the parameter space Θ of classical probabilities, S = { p(·, θ), θɛΘ}, discussed by Amari, is extended to the same manifold but for quantum states (density matrices), S = { ϱ( θ); θɛΘ} in N × N matrix algebras. This is done by introducing an n-tuple of tangent vectors { δ} ni = 1 in analogy to the classical ones { ∂i} ni = 1 . On this basis, a special problem of quantum information geometry is treated; namely, the analysis of the exponential and the mixture families defined, respectively, as (e) ϱ(θ) = exp(θ i A i - ψ(θ)). θ ɛ Θ = R n. A i ɛ B s(H N) . (m) ϱ(θ) = θ iA i + θ 0 A 0. θ ɛ Θ = (0,1) n + 1. limit∑i=0nθ i=1. A i ɛ B +(H N) Tr A i = 1 (the tensorial summation convention for repeated indices is used). We prove some of the basic theorems known in the classical information geometry by extending the formulation to a non-commutative smooth manifold. We establish the existence of a pair of dual affine coordinate systems in (e) or (m) and a projection theorem in order to ensure the Cramer-Rao inequality and an identification of the efficient estimator.

  7. Proof of the spin-statistics theorem in the relativistic regimen by Weyl’s conformal quantum mechanics

    NASA Astrophysics Data System (ADS)

    de Martini, Francesco; Santamato, Enrico

    2016-04-01

    The traditional standard theory of quantum mechanics is unable to solve the spin-statistics problem, i.e. to justify the utterly important “Pauli Exclusion Principle” but by the adoption of the complex standard relativistic quantum field theory. In a recent paper [E. Santamato and F. D. De Martini, Found. Phys. 45 (2015) 858] we presented a complete proof of the spin-statistics problem in the nonrelativistic approximation on the basis of the “Conformal Quantum Geometrodynamics” (CQG). In this paper, by the same theory, the proof of the spin-statistics theorem (SST) is extended to the relativistic domain in the scenario of curved spacetime. No relativistic quantum field operators are used in the present proof and the particle exchange properties are drawn from rotational invariance rather than from Lorentz invariance. Our relativistic approach allows to formulate a manifestly step-by-step Weyl gauge invariant theory and to emphasize some fundamental aspects of group theory in the demonstration. As in the nonrelativistic case, we find once more that the “intrinsic helicity” of the elementary particles enters naturally into play. It is therefore this property, not considered in the standard quantum mechanics (SQM), which determines the correct spin-statistics connection observed in Nature.

  8. Nonequilibrium is different

    NASA Astrophysics Data System (ADS)

    Kirkpatrick, T. R.; Dorfman, J. R.

    2015-08-01

    Nonequilibrium and equilibrium fluid systems differ due to the existence of long-range correlations in nonequilibrium that are not present in equilibrium, except at critical points. Here we examine fluctuations of the temperature, of the pressure tensor, and of the heat current in a fluid maintained in a nonequilibrium stationary state (NESS) with a fixed temperature gradient, a system in which the nonequilibrium correlations are especially long-ranged. For this particular NESS, our results show that (i) the mean-squared fluctuations in nonequilibrium differ markedly in their system-size scaling compared to their equilibrium counterparts, and (ii) there are large, nonlocal correlations of the normal stress in this NESS. These terms provide important corrections to the fluctuating normal stress in linearized Landau-Lifshitz fluctuating hydrodynamics.

  9. Correlations and Statistics of the Discrete Spectra of Multielectron Quantum Dots

    NASA Astrophysics Data System (ADS)

    Marcus, Charles M.

    1998-03-01

    This talk concerns the effects of electron-electron interactions on the ground state and excited state spectra of multielectron quantum dots. Recent experiments are described in which linear and nonlinear magnetoconductance measurements of Coulomb blockade peaks in low-temperature regime, kT<Δ << Ec (Δ is the mean level spacing, Ec is the charging energy), are used to ``fingerprint'' individual quantum levels, as ground states as well as excited states. Quantum levels maintain their magnetofingerprint for up to 4 consecutive peaks, moving sequentially from higher excited states to the ground state as electrons are added to the dot.(D.R. Stewart, D.S. Sprinzak, C.M. Marcus, C. I. Duruoz, J.S. Harris, Jr., Science 278), 17 84 (1997). This observation is (perhaps surprisingly) in accordance with a simple single-particle constant-interaction picture of quantum Coulomb blockade transport, except for a notable absence of spin degeneracy in the spectrum. In a related measurement (S. R. Patel, S. M. Cronenwett, D. R. Stewart, A. G. Huibers, C. M. Marcus, C. I. Duruoz, J. S. Harris, K. Campman, A. C. Gossard, "Statistics of Peak Spacing Fluctuations" (preprint) condmat/9708090), the distribution of spacings between Coulomb blockade peaks measured over ~ 10^4 peaks also fails to show spin degeneracy, which would show up as a bimodal spacing distribution. Both experiments suggest that multielectron chaotic or disordered dots show a breaking of spin pairing similar to Hund's rule effects in atoms and few-electron parabolic dots. Related papers can be found at http:// www.stanford.edu/group/MarcusLab/grouppubs.html. Support for the Marcus Group from ARO (DAAH04-95-1-0331), ONR (N00014-94-1-0622) and NSF-NYI and PECASE programs, for the Harris Group (Stanford) from JSEP (DAAH04-94-G-0058), and for the Gossard Group (UCSB) from the AFOSR (F49620-94-1-0158) and QUEST is greatfully acknowledged.

  10. Statistics

    Cancer.gov

    Links to sources of cancer-related statistics, including the Surveillance, Epidemiology and End Results (SEER) Program, SEER-Medicare datasets, cancer survivor prevalence data, and the Cancer Trends Progress Report.

  11. Numerical solutions of ideal quantum gas dynamical flows governed by semiclassical ellipsoidal-statistical distribution

    PubMed Central

    Yang, Jaw-Yen; Yan, Chih-Yuan; Diaz, Manuel; Huang, Juan-Chen; Li, Zhihui; Zhang, Hanxin

    2014-01-01

    The ideal quantum gas dynamics as manifested by the semiclassical ellipsoidal-statistical (ES) equilibrium distribution derived in Wu et al. (Wu et al. 2012 Proc. R. Soc. A 468, 1799–1823 (doi:10.1098/rspa.2011.0673)) is numerically studied for particles of three statistics. This anisotropic ES equilibrium distribution was derived using the maximum entropy principle and conserves the mass, momentum and energy, but differs from the standard Fermi–Dirac or Bose–Einstein distribution. The present numerical method combines the discrete velocity (or momentum) ordinate method in momentum space and the high-resolution shock-capturing method in physical space. A decoding procedure to obtain the necessary parameters for determining the ES distribution is also devised. Computations of two-dimensional Riemann problems are presented, and various contours of the quantities unique to this ES model are illustrated. The main flow features, such as shock waves, expansion waves and slip lines and their complex nonlinear interactions, are depicted and found to be consistent with existing calculations for a classical gas. PMID:24399919

  12. Nonequilibrium radiative hypersonic flow simulation

    NASA Astrophysics Data System (ADS)

    Shang, J. S.; Surzhikov, S. T.

    2012-08-01

    Nearly all the required scientific disciplines for computational hypersonic flow simulation have been developed on the framework of gas kinetic theory. However when high-temperature physical phenomena occur beneath the molecular and atomic scales, the knowledge of quantum physics and quantum chemical-physics becomes essential. Therefore the most challenging topics in computational simulation probably can be identified as the chemical-physical models for a high-temperature gaseous medium. The thermal radiation is also associated with quantum transitions of molecular and electronic states. The radiative energy exchange is characterized by the mechanisms of emission, absorption, and scattering. In developing a simulation capability for nonequilibrium radiation, an efficient numerical procedure is equally important both for solving the radiative transfer equation and for generating the required optical data via the ab-initio approach. In computational simulation, the initial values and boundary conditions are paramount for physical fidelity. Precise information at the material interface of ablating environment requires more than just a balance of the fluxes across the interface but must also consider the boundary deformation. The foundation of this theoretic development shall be built on the eigenvalue structure of the governing equations which can be described by Reynolds' transport theorem. Recent innovations for possible aerospace vehicle performance enhancement via an electromagnetic effect appear to be very attractive. The effectiveness of this mechanism is dependent strongly on the degree of ionization of the flow medium, the consecutive interactions of fluid dynamics and electrodynamics, as well as an externally applied magnetic field. Some verified research results in this area will be highlighted. An assessment of all these most recent advancements in nonequilibrium modeling of chemical kinetics, chemical-physics kinetics, ablation, radiative exchange

  13. Testing statistics of the CMB B -mode polarization toward unambiguously establishing quantum fluctuation of the vacuum

    NASA Astrophysics Data System (ADS)

    Shiraishi, Maresuke; Hikage, Chiaki; Namba, Ryo; Namikawa, Toshiya; Hazumi, Masashi

    2016-08-01

    The B -mode polarization in the cosmic microwave background (CMB) anisotropies at large angular scales provides compelling evidence for the primordial gravitational waves (GWs). It is often stated that a discovery of the GWs establishes the quantum fluctuation of vacuum during the cosmic inflation. Since the GWs could also be generated by source fields, however, we need to check if a sizable signal exists due to such source fields before reaching a firm conclusion when the B mode is discovered. Source fields of particular types can generate non-Gaussianity (NG) in the GWs. Testing statistics of the B mode is a powerful way of detecting such NG. As a concrete example, we show a model in which gauge field sources chiral GWs via a pseudoscalar coupling and forecast the detection significance at the future CMB satellite LiteBIRD. Effects of residual foregrounds and lensing B mode are both taken into account. We find the B -mode bispectrum "BBB" is in particular sensitive to the source-field NG, which is detectable at LiteBIRD with a >3 σ significance. Therefore the search for the BBB will be indispensable toward unambiguously establishing quantum fluctuation of vacuum when the B mode is discovered. We also introduced the Minkowski functional to detect the NGs. While we find that the Minkowski functional is less efficient than the harmonic-space bispectrum estimator, it still serves as a useful cross-check. Finally, we also discuss the possibility of extracting clean information on parity violation of GWs and new types of parity-violating observables induced by lensing.

  14. Nonequilibrium molecular dynamics

    SciTech Connect

    Hoover, W.G. . Dept. of Applied Science Lawrence Livermore National Lab., CA )

    1990-11-01

    The development of nonequilibrium molecular dynamics is described, with emphasis on massively-parallel simulations involving the motion of millions, soon to be billions, of atoms. Corresponding continuum simulations are also discussed. 14 refs., 8 figs.

  15. Nonequilibrium diagrammatic technique for Hubbard Green functions

    NASA Astrophysics Data System (ADS)

    Chen, Feng; Ochoa, Maicol A.; Galperin, Michael

    2017-03-01

    We introduce diagrammatic technique for Hubbard nonequilibrium Green functions. The formulation is an extension of equilibrium considerations for strongly correlated lattice models to description of current carrying molecular junctions. Within the technique intra-system interactions are taken into account exactly, while molecular coupling to contacts is used as a small parameter in perturbative expansion. We demonstrate the viability of the approach with numerical simulations for a generic junction model of quantum dot coupled to two electron reservoirs.

  16. Heat Current Fluctuations in Quantum Wires

    NASA Astrophysics Data System (ADS)

    Bogachek, E. N.; Krive, I. V.; Scherbakov, A. G.; Landman, Uzi

    2001-03-01

    The noise in the heat current for fermionic and bosonic systems is investigated in the Landauer-Buttiker approach. We show that the thermal (Jonhson-Nyquist) noise in perfect quantum wires does not depend on the statistics of the heat carriers. The nonequilibrium noise produced by the temperature difference between the heat reservoirs (hot and cold leads) is different for bosons and fermions. The contribution of ''fermionic'' nonequilibrium noise to the thermal noise is positive, while that due to ''bosonic'' noise is negative. At all temperatures the nonequilibrium noise P_Δ T is much smaller then the Johnson-Nyquist noise P_JN. Even in the most favorable situations | P_Δ T | /P_JN<= 0.3 for bosons and P_Δ T/P_JN<= 0.1 for fermions. The expressions obtained for bosons are applied for a description of the thermal transport through a Luttinger liquid constriction.

  17. Quantum work statistics of charged Dirac particles in time-dependent fields

    DOE PAGES

    Deffner, Sebastian; Saxena, Avadh

    2015-09-28

    The quantum Jarzynski equality is an important theorem of modern quantum thermodynamics. We show that the Jarzynski equality readily generalizes to relativistic quantum mechanics described by the Dirac equation. After establishing the conceptual framework we solve a pedagogical, yet experimentally relevant, system analytically. As a main result we obtain the exact quantum work distributions for charged particles traveling through a time-dependent vector potential evolving under Schrödinger as well as under Dirac dynamics, and for which the Jarzynski equality is verified. Thus, special emphasis is put on the conceptual and technical subtleties arising from relativistic quantum mechanics.

  18. Quantum work statistics of charged Dirac particles in time-dependent fields

    NASA Astrophysics Data System (ADS)

    Deffner, Sebastian; Saxena, Avadh

    2015-09-01

    The quantum Jarzynski equality is an important theorem of modern quantum thermodynamics. We show that the Jarzynski equality readily generalizes to relativistic quantum mechanics described by the Dirac equation. After establishing the conceptual framework we solve a pedagogical, yet experimentally relevant, system analytically. As a main result we obtain the exact quantum work distributions for charged particles traveling through a time-dependent vector potential evolving under Schrödinger as well as under Dirac dynamics, and for which the Jarzynski equality is verified. Special emphasis is put on the conceptual and technical subtleties arising from relativistic quantum mechanics.

  19. Smearing of the quantum anomalous Hall effect due to statistical fluctuations of magnetic dopants

    NASA Astrophysics Data System (ADS)

    Yue, Z.; Raikh, M. E.

    2016-10-01

    The quantum anomalous Hall effect is induced by substitution of a certain portion x of Bi atoms in a BiTe-based insulating parent compound by magnetic ions (Cr or V). We find the density of in-gap states N (E ) emerging as a result of statistical fluctuations of the composition x in the vicinity of the transition point where the average gap E¯g passes through zero. A local gap follows the fluctuations of x . Using the instanton approach, we show that, near the gap edges, the tails are exponential lnN (E ) ∝-(E¯g-|E |) and the tail states are due to small local gap reduction. Our main finding is that, even when the smearing magnitude exceeds the gap width, there exists a semihard gap around zero energy, where lnN (E ) ∝-E/¯g|E | ln(E/¯g|E | ) . The states responsible for N (E ) originate from local gap reversals within narrow rings. The consequence of the semihard gap is the Arrhenius, rather than variable-range hopping, temperature dependence of the diagonal conductivity at low temperatures.

  20. Full counting statistics of transport electrons through a two-level quantum dot with spin–orbit coupling

    SciTech Connect

    Wang, Z.M.; Xue, H.B.; Xue, N.T.; Liang, J.-Q.

    2015-02-15

    We study the full counting statistics of transport electrons through a semiconductor two-level quantum dot with Rashba spin–orbit (SO) coupling, which acts as a nonabelian gauge field and thus induces the electron transition between two levels along with the spin flip. By means of the quantum master equation approach, shot noise and skewness are obtained at finite temperature with two-body Coulomb interaction. We particularly demonstrate the crucial effect of SO coupling on the super-Poissonian fluctuation of transport electrons, in terms of which the SO coupling can be probed by the zero-frequency cumulants. While the charge currents are not sensitive to the SO coupling.

  1. Quantum leptogenesis I

    SciTech Connect

    Anisimov, A.; Buchmueller, W.; Drewes, M.; Mendizabal, S.

    2011-08-15

    Research Highlights: > The paper presents a full quantum mechanical description of leptogenesis. > The lepton asymmetry is calculated directly in terms of Green's functions. > A key element is the nonequilibrium statistical propagator of the heavy neutrino. > The full quantum mechanical description is compared with results from Boltzmann equations. - Abstract: Thermal leptogenesis explains the observed matter-antimatter asymmetry of the universe in terms of neutrino masses, consistent with neutrino oscillation experiments. We present a full quantum mechanical calculation of the generated lepton asymmetry based on Kadanoff-Baym equations. Origin of the asymmetry is the departure from equilibrium of the statistical propagator of the heavy Majorana neutrino, together with CP violating couplings. The lepton asymmetry is calculated directly in terms of Green's functions without referring to 'number densities'. Compared to Boltzmann and quantum Boltzmann equations, the crucial difference are memory effects, rapid oscillations much faster than the heavy neutrino equilibration time. These oscillations strongly suppress the generated lepton asymmetry, unless the standard model gauge interactions, which cause thermal damping, are properly taken into account. We find that these damping effects essentially compensate the enhancement due to quantum statistical factors, so that finally the conventional Boltzmann equations again provide rather accurate predictions for the lepton asymmetry.

  2. Digital quantum simulation of the statistical mechanics of a frustrated magnet.

    PubMed

    Zhang, Jingfu; Yung, Man-Hong; Laflamme, Raymond; Aspuru-Guzik, Alán; Baugh, Jonathan

    2012-06-06

    Many problems of interest in physics, chemistry and computer science are equivalent to problems defined on systems of interacting spins. However, most such problems require computational resources that are out of reach with classical computers. A promising solution to overcome this challenge is quantum simulation. Several 'analogue' quantum simulations of interacting spin systems have been realized experimentally, where ground states were prepared using adiabatic techniques. Here we report a 'digital' quantum simulation of thermal states; a three-spin frustrated magnet was simulated using a nuclear magnetic resonance quantum information processor, and we were able to explore the phase diagram of the system at any simulated temperature and external field. These results help to identify the challenges for performing quantum simulations of physical systems at finite temperatures, and suggest methods that may be useful in simulating thermal open quantum systems.

  3. Topologically protected modes in non-equilibrium stochastic systems

    PubMed Central

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2017-01-01

    Non-equilibrium driving of biophysical processes is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enzymatic specificity and maintenance of coherent oscillations. Elucidating the relation between energy consumption and organization remains an important and open question in non-equilibrium statistical mechanics. Here we report that steady states of systems with non-equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. Akin to their electronic and mechanical counterparts, topological-protected boundary steady states in non-equilibrium systems are robust and are largely insensitive to local perturbations. We argue that our work provides a framework for how biophysical systems can use non-equilibrium driving to achieve robust function. PMID:28071644

  4. Topologically protected modes in non-equilibrium stochastic systems

    NASA Astrophysics Data System (ADS)

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2017-01-01

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

  5. Topologically protected modes in non-equilibrium stochastic systems.

    PubMed

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2017-01-10

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

  6. Statistical physics ""Beyond equilibrium

    SciTech Connect

    Ecke, Robert E

    2009-01-01

    The scientific challenges of the 21st century will increasingly involve competing interactions, geometric frustration, spatial and temporal intrinsic inhomogeneity, nanoscale structures, and interactions spanning many scales. We will focus on a broad class of emerging problems that will require new tools in non-equilibrium statistical physics and that will find application in new material functionality, in predicting complex spatial dynamics, and in understanding novel states of matter. Our work will encompass materials under extreme conditions involving elastic/plastic deformation, competing interactions, intrinsic inhomogeneity, frustration in condensed matter systems, scaling phenomena in disordered materials from glasses to granular matter, quantum chemistry applied to nano-scale materials, soft-matter materials, and spatio-temporal properties of both ordinary and complex fluids.

  7. Statistical Exploration of Electronic Structure of Molecules from Quantum Monte-Carlo Simulations

    SciTech Connect

    Prabhat, Mr; Zubarev, Dmitry; Lester, Jr., William A.

    2010-12-22

    In this report, we present results from analysis of Quantum Monte Carlo (QMC) simulation data with the goal of determining internal structure of a 3N-dimensional phase space of an N-electron molecule. We are interested in mining the simulation data for patterns that might be indicative of the bond rearrangement as molecules change electronic states. We examined simulation output that tracks the positions of two coupled electrons in the singlet and triplet states of an H2 molecule. The electrons trace out a trajectory, which was analyzed with a number of statistical techniques. This project was intended to address the following scientific questions: (1) Do high-dimensional phase spaces characterizing electronic structure of molecules tend to cluster in any natural way? Do we see a change in clustering patterns as we explore different electronic states of the same molecule? (2) Since it is hard to understand the high-dimensional space of trajectories, can we project these trajectories to a lower dimensional subspace to gain a better understanding of patterns? (3) Do trajectories inherently lie in a lower-dimensional manifold? Can we recover that manifold? After extensive statistical analysis, we are now in a better position to respond to these questions. (1) We definitely see clustering patterns, and differences between the H2 and H2tri datasets. These are revealed by the pamk method in a fairly reliable manner and can potentially be used to distinguish bonded and non-bonded systems and get insight into the nature of bonding. (2) Projecting to a lower dimensional subspace ({approx}4-5) using PCA or Kernel PCA reveals interesting patterns in the distribution of scalar values, which can be related to the existing descriptors of electronic structure of molecules. Also, these results can be immediately used to develop robust tools for analysis of noisy data obtained during QMC simulations (3) All dimensionality reduction and estimation techniques that we tried seem to

  8. Time Dependent Hartree Fock Equation: Gateway to Nonequilibrium Plasmas

    SciTech Connect

    James W. Dufty

    2007-04-28

    This is the Final Technical Report for DE-FG02-2ER54677 award “Time Dependent Hartree Fock Equation - Gateway to Nonequilibrium Plasmas”. Research has focused on the nonequilibrium dynamics of electrons in the presence of ions, both via basic quantum theory and via semi-classical molecular dynamics (MD) simulation. In addition, fundamental notions of dissipative dynamics have been explored for models of grains and dust, and for scalar fields (temperature) in turbulent edge plasmas. The specific topics addressed were Quantum Kinetic Theory for Metallic Clusters, Semi-classical MD Simulation of Plasmas , and Effects of Dissipative Dynamics.

  9. Quantum work statistics of charged Dirac particles in time-dependent fields

    NASA Astrophysics Data System (ADS)

    Deffner, Sebastian; Saxena, Avadh

    The quantum Jarzynski equality is an important theorem of modern quantum thermodynamics. We show that the Jarzynski equality readily generalizes to relativistic quantum mechanics described by the Dirac equation. After establishing the conceptual framework we solve a pedagogical, yet experimentally relevant, system analytically. As a main result we obtain the exact quantum work distributions for charged particles traveling through a time-dependent vector potential evolving under Schrödinger as well as under Dirac dynamics, and for which the Jarzynski equality is verified. Special emphasis is put on the conceptual and technical subtleties arising from relativistic quantum mechanics. SD acknowledges financial support by the U.S. Department of Energy through a LANL Director's Funded Fellowship.

  10. Nonequilibrium statistical mechanics of open classical systems

    NASA Astrophysics Data System (ADS)

    Rey-Bellet, Luc

    2006-03-01

    We describe the ergodic and thermodynamical properties of chains of anharmonic oscillators coupled, at the boundaries, to heat reservoirs at positive and different temperatures. We discuss existence and uniqueness of stationary states, rate of convergence to stationarity, heat flows and entropy production, Kubo formula and Gallavotti-Cohen fluctuation theorem.

  11. Quantum Information and Computing

    NASA Astrophysics Data System (ADS)

    Accardi, L.; Ohya, Masanori; Watanabe, N.

    2006-03-01

    Preface -- Coherent quantum control of [symbol]-atoms through the stochastic limit / L. Accardi, S. V. Kozyrev and A. N. Pechen -- Recent advances in quantum white noise calculus / L. Accardi and A. Boukas -- Control of quantum states by decoherence / L. Accardi and K. Imafuku -- Logical operations realized on the Ising chain of N qubits / M. Asano, N. Tateda and C. Ishii -- Joint extension of states of fermion subsystems / H. Araki -- Quantum filtering and optimal feedback control of a Gaussian quantum free particle / S. C. Edwards and V. P. Belavkin -- On existence of quantum zeno dynamics / P. Exner and T. Ichinose -- Invariant subspaces and control of decoherence / P. Facchi, V. L. Lepore and S. Pascazio -- Clauser-Horner inequality for electron counting statistics in multiterminal mesoscopic conductors / L. Faoro, F. Taddei and R. Fazio -- Fidelity of quantum teleportation model using beam splittings / K.-H. Fichtner, T. Miyadera and M. Ohya -- Quantum logical gates realized by beam splittings / W. Freudenberg ... [et al.] -- Information divergence for quantum channels / S. J. Hammersley and V. P. Belavkin -- On the uniqueness theorem in quantum information geometry / H. Hasegawa -- Noncanonical representations of a multi-dimensional Brownian motion / Y. Hibino -- Some of future directions of white noise theory / T. Hida -- Information, innovation and elemental random field / T. Hida -- Generalized quantum turing machine and its application to the SAT chaos algorithm / S. Iriyama, M. Ohya and I. Volovich -- A Stroboscopic approach to quantum tomography / A. Jamiolkowski -- Positive maps and separable states in matrix algebras / A. Kossakowski -- Simulating open quantum systems with trapped ions / S. Maniscalco -- A purification scheme and entanglement distillations / H. Nakazato, M. Unoki and K. Yuasa -- Generalized sectors and adjunctions to control micro-macro transitions / I. Ojima -- Saturation of an entropy bound and quantum Markov states / D. Petz -- An

  12. Spin fluctuations of nonequilibrium electrons and excitons in semiconductors

    NASA Astrophysics Data System (ADS)

    Glazov, M. M.

    2016-03-01

    Effects that are related to deviations from thermodynamic equilibrium have a special place in modern physics. Among these, nonequilibrium phenomena in quantum systems attract the highest interest. The experimental technique of spin-noise spectroscopy has became quite widespread, which makes it possible to observe spin fluctuations of charge carriers in semiconductors under both equilibrium and nonequilibrium conditions. This calls for the development of a theory of spin fluctuations of electrons and electron-hole complexes for nonequilibrium conditions. In this paper, we consider a range of physical situations where a deviation from equilibrium becomes pronounced in the spin noise. A general method for the calculation of electron and exciton spin fluctuations in a nonequilibrium state is proposed. A short review of the theoretical and experimental results in this area is given.

  13. First principles nonequilibrium plasma mixing

    NASA Astrophysics Data System (ADS)

    Ticknor, C.; Herring, S. D.; Lambert, F.; Collins, L. A.; Kress, J. D.

    2014-01-01

    We have performed nonequilibrium classical and quantum-mechanical molecular dynamics simulations that follow the interpenetration of deuterium-tritium (DT) and carbon (C) components through an interface initially in hydrostatic and thermal equilibrium. We concentrate on the warm, dense matter regime with initial densities of 2.5-5.5 g/cm3 and temperatures from 10 to 100 eV. The classical treatment employs a Yukawa pair-potential with the parameters adjusted to the plasma conditions, and the quantum treatment rests on an orbital-free density functional theory at the Thomas-Fermi-Dirac level. For times greater than about a picosecond, the component concentrations evolve in accordance with Fick's law for a classically diffusing fluid with the motion, though, described by the mutual diffusion coefficient of the mixed system rather than the self-diffusion of the individual components. For shorter times, microscopic processes control the clearly non-Fickian dynamics and require a detailed representation of the electron probability density in space and time.

  14. Semiclassical approach to model quantum fluids using the statistical associating fluid theory for systems with potentials of variable range.

    PubMed

    Trejos, Víctor M; Gil-Villegas, Alejandro

    2012-05-14

    Thermodynamic properties of quantum fluids are described using an extended version of the statistical associating fluid theory for potentials of variable range (SAFT-VR) that takes into account quantum corrections to the Helmholtz free energy A, based on the Wentzel-Kramers-Brillouin approximation. We present the theoretical background of this approach (SAFT-VRQ), considering two different cases depending on the continuous or discontinuous nature of the particles pair interaction. For the case of continuous potentials, we demonstrate that the standard Wigner-Kirkwood theory for quantum fluids can be derived from the de Broglie-Bohm formalism for quantum mechanics that can be incorporated within the Barker and Henderson perturbation theory for liquids in a straightforward way. When the particles interact via a discontinuous pair potential, the SAFT-VR method can be combined with the perturbation theory developed by Singh and Sinha [J. Chem. Phys. 67, 3645 (1977); and ibid. 68, 562 (1978)]. We present an analytical expression for the first-order quantum perturbation term for a square-well potential, and the theory is applied to model thermodynamic properties of hydrogen, deuterium, neon, and helium-4. Vapor-liquid equilibrium, liquid and vapor densities, isochoric and isobaric heat capacities, Joule-Thomson coefficients and inversion curves are predicted accurately with respect to experimental data. We find that quantum corrections are important for the global behavior of properties of these fluids and not only for the low-temperature regime. Predictions obtained for hydrogen compare very favorably with respect to cubic equations of state.

  15. Nonlinear dynamics of non-equilibrium holes in p-type modulation-doped GaInNAs/GaAs quantum wells

    PubMed Central

    2011-01-01

    Nonlinear charge transport parallel to the layers of p-modulation-doped GaInNAs/GaAs quantum wells (QWs) is studied both theoretically and experimentally. Experimental results show that at low temperature, T = 13 K, the presence of an applied electric field of about 6 kV/cm leads to the heating of the high mobility holes in the GaInNAs QWs, and their real-space transfer (RST) into the low-mobility GaAs barriers. This results in a negative differential mobility and self-generated oscillatory instabilities in the RST regime. We developed an analytical model based upon the coupled nonlinear dynamics of the real-space hole transfer and of the interface potential barrier controlled by space-charge in the doped GaAs layer. Our simulation results predict dc bias-dependent self-generated current oscillations with frequencies in the high microwave range. PMID:21711766

  16. Condensation of N bosons. II. Nonequilibrium analysis of an ideal Bose gas and the laser phase-transition analogy

    NASA Astrophysics Data System (ADS)

    Kocharovsky, V. V.; Scully, Marlan O.; Zhu, Shi-Yao; Suhail Zubairy, M.

    2000-02-01

    A nonequilibrium approach to the dynamics and statistics of the condensate of an ideal N-atom Bose gas cooling via interaction with a thermal reservoir using the canonical ensemble is developed. We derive simple analytical expressions for the canonical partition function and equilibrium distribution of the number of atoms in the ground state of a trap under different approximations, and compare them with exact numerical results. The N-particle constraint associated with the canonical ensemble is usually a burden. In the words of Kittel, ``in the investigation of the Bose-Einstein...laws it is very inconvenient to impose the restriction that the number of particles in the subsystem shall be held constant.'' But in the present approach, based on the analogy between a second-order phase transition and laser threshold behavior, the N-particle constraint makes the problem easier. We emphasize that the present work provides another example of a case in which equilibrium (detailed balance) solutions to nonequilibrium equations of motion provide a useful supplementary approach to conventional statistical mechanics. We also discuss some dynamical and mesoscopic aspects of Bose-Einstein condensation. The conclusion is that the present analytical (but approximate) results, based on a nonequilibrium approach, are in excellent agreement with exact (but numerical) results. The present analysis has much in common with the quantum theory of the laser.

  17. Decoherence and thermalization of a pure quantum state in quantum field theory.

    PubMed

    Giraud, Alexandre; Serreau, Julien

    2010-06-11

    We study the real-time evolution of a self-interacting O(N) scalar field initially prepared in a pure, coherent quantum state. We present a complete solution of the nonequilibrium quantum dynamics from a 1/N expansion of the two-particle-irreducible effective action at next-to-leading order, which includes scattering and memory effects. We demonstrate that, restricting one's attention (or ability to measure) to a subset of the infinite hierarchy of correlation functions, one observes an effective loss of purity or coherence and, on longer time scales, thermalization. We point out that the physics of decoherence is well described by classical statistical field theory.

  18. Entropic fluctuations in statistical mechanics: I. Classical dynamical systems

    NASA Astrophysics Data System (ADS)

    Jakšić, V.; Pillet, C.-A.; Rey-Bellet, L.

    2011-03-01

    Within the abstract framework of dynamical system theory we describe a general approach to the transient (or Evans-Searles) and steady state (or Gallavotti-Cohen) fluctuation theorems of non-equilibrium statistical mechanics. Our main objective is to display the minimal, model independent mathematical structure at work behind fluctuation theorems. In addition to its conceptual simplicity, another advantage of our approach is its natural extension to quantum statistical mechanics which will be presented in a companion paper. We shall discuss several examples including thermostated systems, open Hamiltonian systems, chaotic homeomorphisms of compact metric spaces and Anosov diffeomorphisms.

  19. Departure of some parameter-dependent spectral statistics of irregular quantum graphs from random matrix theory predictions.

    PubMed

    Hul, Oleh; Seba, Petr; Sirko, Leszek

    2009-06-01

    Parameter-dependent statistical properties of spectra of totally connected irregular quantum graphs with Neumann boundary conditions are studied. The autocorrelation functions of level velocities c(x) and c[over ](omega,x) as well as the distributions of level curvatures and avoided crossing gaps are calculated. The numerical results are compared with the predictions of random matrix theory for Gaussian orthogonal ensemble (GOE) and for coupled GOE matrices. The application of coupled GOE matrices was justified by studying localization phenomena in graphs' wave functions Psi(x) using the inverse participation ratio and the amplitude distribution P(Psi(x)) .

  20. Finite-time full counting statistics and factorial cumulants for transport through a quantum dot with normal and superconducting leads

    NASA Astrophysics Data System (ADS)

    Droste, Stephanie; Governale, Michele

    2016-04-01

    We study the finite-time full counting statistics for subgap transport through a single-level quantum dot tunnel-coupled to one normal and one superconducting lead. In particular, we determine the factorial and the ordinary cumulants both for finite times and in the long-time limit. We find that the factorial cumulants violate the sign criterion, indicating a non-binomial distribution, even in absence of Coulomb repulsion due to the presence of superconducting correlations. At short times the cumulants exhibit oscillations which are a signature of the coherent transfer of Cooper pairs between the dot and the superconductor.

  1. Nonequilibrium Kinetics of Rydberg Atomic States

    SciTech Connect

    Bureyeva, L. A.; Kadomtsev, M. B.; Levashova, M. G.; Lisitsa, V. S.

    2008-10-22

    Two-dimensional quasi-classical model of the radiative-collisional cascade for hydrogen-like systems is developed. The model establishes the correspondence between the quantum and classical approaches. Our calculations of the two-dimensional populations of highly excited atomic hydrogen states for three-body and photorecombination sources of population allow the data of one-dimensional kinetic models to be refined. The calculated intensities of recombination lines demonstrate the degree of nonequilibrium of the Rydberg state populations under typical astrophysical plasma conditions.

  2. EQUILIBRIUM AND NONEQUILIBRIUM FOUNDATIONS OF FREE ENERGY COMPUTATIONAL METHODS

    SciTech Connect

    C. JARZYNSKI

    2001-03-01

    Statistical mechanics provides a rigorous framework for the numerical estimation of free energy differences in complex systems such as biomolecules. This paper presents a brief review of the statistical mechanical identities underlying a number of techniques for computing free energy differences. Both equilibrium and nonequilibrium methods are covered.

  3. Probing the effective nuclear-spin magnetic field in a single quantum dot via full counting statistics

    SciTech Connect

    Xue, Hai-Bin; Nie, Yi-Hang; Chen, Jingzhe; Ren, Wei

    2015-03-15

    We study theoretically the full counting statistics of electron transport through a quantum dot weakly coupled to two ferromagnetic leads, in which an effective nuclear-spin magnetic field originating from the configuration of nuclear spins is considered. We demonstrate that the quantum coherence between the two singly-occupied eigenstates and the spin polarization of two ferromagnetic leads play an important role in the formation of super-Poissonian noise. In particular, the orientation and magnitude of the effective field have a significant influence on the variations of the values of high-order cumulants, and the variations of the skewness and kurtosis values are more sensitive to the orientation and magnitude of the effective field than the shot noise. Thus, the high-order cumulants of transport current can be used to qualitatively extract information on the orientation and magnitude of the effective nuclear-spin magnetic field in a single quantum dot. - Highlights: • The effective nuclear-spin magnetic field gives rise to the off-diagonal elements of the reduced density matrix of single QD. • The off-diagonal elements of reduced density matrix of the QD have a significant impact on the high-order current cumulants. • The high-order current cumulants are sensitive to the orientation and magnitude of the effective nuclear-spin magnetic field. • The FCS can be used to detect the orientation and magnitude of the effective nuclear-spin magnetic field in a single QD.

  4. Non-equilibrium dynamics from RPMD and CMD.

    PubMed

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

    2016-11-28

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

  5. Non-equilibrium dynamics from RPMD and CMD

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

    We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O (t4) and O (t1) , respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O (t5) and O (t2) , respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.

  6. Quantum mechanical calculation of spectral statistics of a modified Kepler problem.

    PubMed

    Ma, Tao; Serota, R A

    2012-03-01

    For a modified Kepler problem, we reexamine jumps in the saturation spectral rigidity and large oscillations of the level number variance with near zero minima. Earlier discrepancy between the periodic orbit theory and numerical calculation is cleared by a quantum mechanical calculation. A new class of radial periodic orbits is included establishing a complete correspondence between the periodic orbit theory and the quantum mechanical approach. We show that the diagonal approximation for the level density in the periodic orbit theory already gives a good fit with the numerical calculation. Even greater accuracy is achieved by considering coherent interference between the classical periodic orbits term and the Balian-Bloch term. This procedure produces improved results for the hard-wall rectangular billiards as well.

  7. Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamics.

    PubMed

    Craig, Ian R; Manolopoulos, David E

    2004-08-22

    We propose an approximate method for calculating Kubo-transformed real-time correlation functions involving position-dependent operators, based on path integral (Parrinello-Rahman) molecular dynamics. The method gives the exact quantum mechanical correlation function at time zero, exactly satisfies the quantum mechanical detailed balance condition, and for correlation functions of the form C(Ax)(t) and C(xB)(t) it gives the exact result for a harmonic potential. It also works reasonably well at short times for more general potentials and correlation functions, as we illustrate with some example calculations. The method provides a consistent improvement over purely classical molecular dynamics that is most apparent in the low-temperature regime.

  8. Coulomb-blockade peak spacing statistics of graphene quantum dots on SiO2

    NASA Astrophysics Data System (ADS)

    Herrmann, O.; Gould, C.; Molenkamp, L. W.

    2016-10-01

    Extrinsic disorder strongly affects the performance of graphene-based quantum dots. The standard SiO2 substrate is generally considered to be one major factor besides edge-induced disorder. In this report we present the fabrication of lithographically defined quantum dots on SiO2 with short and narrow constrictions and different central island sizes. Low temperature transport measurements display distinct Coulomb-blockade peaks with amplitudes exceeding what is commonly observed experimentally. The analysis of the normalized Coulomb-blockade peak spacing shows a size dependence, which has not previously been observed for devices on SiO2. Furthermore, a quantitative comparison of the peak spacing distribution to the literature shows that one of the two devices compares favorably to a similar sized dot placed on hexagonal boron nitride, which is known to reduce the substrate disorder. Our findings suggest that the other sources of extrinsic disorder, such as lithography residues, may play an important role for the performance of large graphene quantum dots.

  9. The determinants of bond angle variability in protein/peptide backbones: A comprehensive statistical/quantum mechanics analysis.

    PubMed

    Improta, Roberto; Vitagliano, Luigi; Esposito, Luciana

    2015-11-01

    The elucidation of the mutual influence between peptide bond geometry and local conformation has important implications for protein structure refinement, validation, and prediction. To gain insights into the structural determinants and the energetic contributions associated with protein/peptide backbone plasticity, we here report an extensive analysis of the variability of the peptide bond angles by combining statistical analyses of protein structures and quantum mechanics calculations on small model peptide systems. Our analyses demonstrate that all the backbone bond angles strongly depend on the peptide conformation and unveil the existence of regular trends as function of ψ and/or φ. The excellent agreement of the quantum mechanics calculations with the statistical surveys of protein structures validates the computational scheme here employed and demonstrates that the valence geometry of protein/peptide backbone is primarily dictated by local interactions. Notably, for the first time we show that the position of the H(α) hydrogen atom, which is an important parameter in NMR structural studies, is also dependent on the local conformation. Most of the trends observed may be satisfactorily explained by invoking steric repulsive interactions; in some specific cases the valence bond variability is also influenced by hydrogen-bond like interactions. Moreover, we can provide a reliable estimate of the energies involved in the interplay between geometry and conformations.

  10. Quantum statistics for a two-mode magnon system with microwave pumping: application to coupled ferromagnetic nanowires.

    PubMed

    Haghshenasfard, Zahra; Cottam, M G

    2017-05-17

    A microscopic (Hamiltonian-based) method for the quantum statistics of bosonic excitations in a two-mode magnon system is developed. Both the exchange and the dipole-dipole interactions, as well as the Zeeman term for an external applied field, are included in the spin Hamiltonian, and the model also contains the nonlinear effects due to parallel pumping and four-magnon interactions. The quantization of spin operators is achieved through the Holstein-Primakoff formalism, and then a coherent magnon state representation is used to study the occupation magnon number and the quantum statistical behaviour of the system. Particular attention is given to the cross correlation between the two coupled magnon modes in a ferromagnetic nanowire geometry formed by two lines of spins. Manipulation of the collapse-and-revival phenomena for the temporal evolution of the magnon number as well as the control of the cross correlation between the two magnon modes is demonstrated by tuning the parallel pumping field amplitude. The role of the four-magnon interactions is particularly interesting and leads to anti-correlation in some cases with coherent states.

  11. Efficiency bounds for nonequilibrium heat engines

    SciTech Connect

    Mehta, Pankaj; Polkovnikov, Anatoli

    2013-05-15

    We analyze the efficiency of thermal engines (either quantum or classical) working with a single heat reservoir like an atmosphere. The engine first gets an energy intake, which can be done in an arbitrary nonequilibrium 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 nonequilibrium and initial equilibrium distributions. These results suggest a new general strategy for designing more efficient engines. We illustrate our ideas by using simple examples. -- Highlights: ► Derived efficiency bounds for heat engines working with a single reservoir. ► Analyzed both ergodic and non-ergodic engines. ► Showed that non-ergodic engines can be more efficient. ► Extended fundamental thermodynamic relation to arbitrary nonequilibrium processes.

  12. Statistical thermodynamics of quantum Brownian motion: construction of perpetuum mobile of the second kind.

    PubMed

    Nieuwenhuizen, Th M; Allahverdyan, A E

    2002-09-01

    The Brownian motion of a quantum particle in a harmonic confining potential and coupled to harmonic quantum thermal bath is exactly solvable. Though this system presents at high temperatures a pedagogic example to explain the laws of thermodynamics, it is shown that at low enough temperatures the stationary state is non-Gibbsian due to an entanglement with the bath. In physical terms, this happens when the cloud of bath modes around the particle starts to play a nontrivial role, namely, when the bath temperature T is smaller than the coupling energy. Indeed, equilibrium thermodynamics of the total system, particle plus bath, does not imply standard equilibrium thermodynamics for the particle itself at low T. Various formulations of the second law are found to be invalid at low T. First, the Clausius inequality can be violated, because heat can be extracted from the zero point energy of the cloud of bath modes. Second, when the width of the confining potential is suddenly changed, there occurs a relaxation to equilibrium during which the entropy production is partly negative. In this process the energy put on the particle does not relax monotonically, but oscillates between particle and bath, even in the limit of strong damping. Third, for nonadiabatic changes of system parameters the rate of energy dissipation can be negative, and, out of equilibrium, cyclic processes are possible which extract work from the bath. Conditions are put forward under which perpetuum mobility of the second kind, having one or several work extraction cycles, enter the realm of condensed matter physics. Fourth, it follows that the equivalence between different formulations of the second law (e.g., those by Clausius and Thomson) can be violated at low temperatures. These effects are the consequence of quantum entanglement in the presence of the slightly off-equilibrium nature of the thermal bath, and become important when the characteristic quantum time scale variant Planck's over 2pi /k

  13. [Establishment of the mathematic model of total quantum statistical moment standard similarity for application to medical theoretical research].

    PubMed

    He, Fu-yuan; Deng, Kai-wen; Huang, Sheng; Liu, Wen-long; Shi, Ji-lian

    2013-09-01

    The paper aims to elucidate and establish a new mathematic model: the total quantum statistical moment standard similarity (TQSMSS) on the base of the original total quantum statistical moment model and to illustrate the application of the model to medical theoretical research. The model was established combined with the statistical moment principle and the normal distribution probability density function properties, then validated and illustrated by the pharmacokinetics of three ingredients in Buyanghuanwu decoction and of three data analytical method for them, and by analysis of chromatographic fingerprint for various extracts with different solubility parameter solvents dissolving the Buyanghanwu-decoction extract. The established model consists of four mainly parameters: (1) total quantum statistical moment similarity as ST, an overlapped area by two normal distribution probability density curves in conversion of the two TQSM parameters; (2) total variability as DT, a confidence limit of standard normal accumulation probability which is equal to the absolute difference value between the two normal accumulation probabilities within integration of their curve nodical; (3) total variable probability as 1-Ss, standard normal distribution probability within interval of D(T); (4) total variable probability (1-beta)alpha and (5) stable confident probability beta(1-alpha): the correct probability to make positive and negative conclusions under confident coefficient alpha. With the model, we had analyzed the TQSMS similarities of pharmacokinetics of three ingredients in Buyanghuanwu decoction and of three data analytical methods for them were at range of 0.3852-0.9875 that illuminated different pharmacokinetic behaviors of each other; and the TQSMS similarities (ST) of chromatographic fingerprint for various extracts with different solubility parameter solvents dissolving Buyanghuanwu-decoction-extract were at range of 0.6842-0.999 2 that showed different constituents

  14. Quantum maximum-entropy principle for closed quantum hydrodynamic transport within a Wigner function formalism

    SciTech Connect

    Trovato, M.; Reggiani, L.

    2011-12-15

    By introducing a quantum entropy functional of the reduced density matrix, the principle of quantum maximum entropy is asserted as fundamental principle of quantum statistical mechanics. Accordingly, we develop a comprehensive theoretical formalism to construct rigorously a closed quantum hydrodynamic transport within a Wigner function approach. The theoretical formalism is formulated in both thermodynamic equilibrium and nonequilibrium conditions, and the quantum contributions are obtained by only assuming that the Lagrange multipliers can be expanded in powers of ({h_bar}/2{pi}){sup 2}. In particular, by using an arbitrary number of moments, we prove that (1) on a macroscopic scale all nonlocal effects, compatible with the uncertainty principle, are imputable to high-order spatial derivatives, both of the numerical density n and of the effective temperature T; (2) the results available from the literature in the framework of both a quantum Boltzmann gas and a degenerate quantum Fermi gas are recovered as a particular case; (3) the statistics for the quantum Fermi and Bose gases at different levels of degeneracy are explicitly incorporated; (4) a set of relevant applications admitting exact analytical equations are explicitly given and discussed; (5) the quantum maximum entropy principle keeps full validity in the classical limit, when ({h_bar}/2{pi}){yields}0.

  15. Quantum maximum-entropy principle for closed quantum hydrodynamic transport within a Wigner function formalism.

    PubMed

    Trovato, M; Reggiani, L

    2011-12-01

    By introducing a quantum entropy functional of the reduced density matrix, the principle of quantum maximum entropy is asserted as fundamental principle of quantum statistical mechanics. Accordingly, we develop a comprehensive theoretical formalism to construct rigorously a closed quantum hydrodynamic transport within a Wigner function approach. The theoretical formalism is formulated in both thermodynamic equilibrium and nonequilibrium conditions, and the quantum contributions are obtained by only assuming that the Lagrange multipliers can be expanded in powers of h(2). In particular, by using an arbitrary number of moments, we prove that (1) on a macroscopic scale all nonlocal effects, compatible with the uncertainty principle, are imputable to high-order spatial derivatives, both of the numerical density n and of the effective temperature T; (2) the results available from the literature in the framework of both a quantum Boltzmann gas and a degenerate quantum Fermi gas are recovered as a particular case; (3) the statistics for the quantum Fermi and Bose gases at different levels of degeneracy are explicitly incorporated; (4) a set of relevant applications admitting exact analytical equations are explicitly given and discussed; (5) the quantum maximum entropy principle keeps full validity in the classical limit, when h → 0.

  16. Virial Coefficients from Unified Statistical Thermodynamics of Quantum Gases Trapped under Generic Power Law Potential in d Dimension and Equivalence of Quantum Gases

    NASA Astrophysics Data System (ADS)

    Bahauddin, Shah Mohammad; Mehedi Faruk, Mir

    2016-09-01

    From the unified statistical thermodynamics of quantum gases, the virial coefficients of ideal Bose and Fermi gases, trapped under generic power law potential are derived systematically. From the general result of virial coefficients, one can produce the known results in d = 3 and d = 2. But more importantly we found that, the virial coefficients of Bose and Fermi gases become identical (except the second virial coefficient, where the sign is different) when the gases are trapped under harmonic potential in d = 1. This result suggests the equivalence between Bose and Fermi gases established in d = 1 (J. Stat. Phys. DOI 10.1007/s10955-015-1344-4). Also, it is found that the virial coefficients of two-dimensional free Bose (Fermi) gas are equal to the virial coefficients of one-dimensional harmonically trapped Bose (Fermi) gas.

  17. Blinking in quantum dots: The origin of the grey state and power law statistics

    NASA Astrophysics Data System (ADS)

    Ye, Mao; Searson, Peter C.

    2011-09-01

    Quantum dot (QD) blinking is characterized by switching between an “on” state and an “off” state, and a power-law distribution of on and off times with exponents from 1.0 to 2.0. The origin of blinking behavior in QDs, however, has remained a mystery. Here we describe an energy-band model for QDs that captures the full range of blinking behavior reported in the literature and provides new insight into features such as the gray state, the power-law distribution of on and off times, and the power-law exponents.

  18. Stringent test of the statistical quasiclassical trajectory model for the H+3 exchange reaction: a comparison with rigorous statistical quantum mechanical results.

    PubMed

    Aoiz, F J; González-Lezana, T; Sáez Rábanos, V

    2007-11-07

    A complete formulation of a statistical quasiclassical trajectory (SQCT) model is presented in this work along with a detailed comparison with results obtained with the statistical quantum mechanical (SQM) model for the H+ +D2 and H+ +H2 reactions. The basic difference between the SQCT and the SQM models lies in the fact that trajectories instead of wave functions are propagated in the entrance and exit channels. Other than this the two formulations are entirely similar and both comply with the principle of detailed balance and conservation of parity. Reaction probabilities, and integral and differential cross sections (DCS's) for these reactions at different levels of product's state resolution and from various initial states are shown and discussed. The agreement is in most cases excellent and indicates that the effect of tunneling through the centrifugal barrier is negligible. Some differences are found, however, between state resolved observables calculated by the SQCT and the SQM methods which makes use of the centrifugal sudden (coupled states) approximation (SQM-CS). When this approximation is removed and the full close coupling treatment is used in the SQM model (SQM-CC), an almost perfect agreement is achieved. This shows that the SQCT is sensitive enough to show the relatively small inaccuracies resulting from the decoupling inherent to the CS approximation. In addition, the effect of ignoring the parity conservation is thoroughly examined. This effect is in general minor except in particular cases such as the DCS from initial rotational state j=0. It is shown, however, that in order to reproduce the sharp forward and backward peaks the conservation of parity has to be taken into account.

  19. Modeling, Measurements, and Fundamental Database Development for Nonequilibrium Hypersonic Aerothermodynamics

    NASA Technical Reports Server (NTRS)

    Bose, Deepak

    2012-01-01

    The design of entry vehicles requires predictions of aerothermal environment during the hypersonic phase of their flight trajectories. These predictions are made using computational fluid dynamics (CFD) codes that often rely on physics and chemistry models of nonequilibrium processes. The primary processes of interest are gas phase chemistry, internal energy relaxation, electronic excitation, nonequilibrium emission and absorption of radiation, and gas-surface interaction leading to surface recession and catalytic recombination. NASAs Hypersonics Project is advancing the state-of-the-art in modeling of nonequilibrium phenomena by making detailed spectroscopic measurements in shock tube and arcjets, using ab-initio quantum mechanical techniques develop fundamental chemistry and spectroscopic databases, making fundamental measurements of finite-rate gas surface interactions, implementing of detailed mechanisms in the state-of-the-art CFD codes, The development of new models is based on validation with relevant experiments. We will present the latest developments and a roadmap for the technical areas mentioned above

  20. Quantum statistical vibrational entropy and enthalpy of formation of helium-vacancy complex in BCC W

    NASA Astrophysics Data System (ADS)

    Wen, Haohua; Woo, C. H.

    2016-12-01

    High-temperature advance-reactor design and operation require knowledge of in-reactor materials properties far from the thermal ground state. Temperature-dependence due to the effects of lattice vibrations is important to the understanding and formulation of atomic processes involved in irradiation-damage accumulation. In this paper, we concentrate on the formation of He-V complex. The free-energy change in this regard is derived via thermodynamic integration from the phase-space trajectories generated from MD simulations based on the quantum fluctuation-dissipation relation. The change of frequency distribution of vibration modes during the complex formation is properly accounted for, and the corresponding entropy change avoids the classical ln(T) divergence that violates the third law. The vibrational enthalpy and entropy of formation calculated this way have significant effects on the He kinetics during irradiation.

  1. Vibrational mean free paths and thermal conductivity of amorphous silicon from non-equilibrium molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Sääskilahti, K.; Oksanen, J.; Tulkki, J.; McGaughey, A. J. H.; Volz, S.

    2016-12-01

    The frequency-dependent mean free paths (MFPs) of vibrational heat carriers in amorphous silicon are predicted from the length dependence of the spectrally decomposed heat current (SDHC) obtained from non-equilibrium molecular dynamics simulations. The results suggest a (frequency)- 2 scaling of the room-temperature MFPs below 5 THz. The MFPs exhibit a local maximum at a frequency of 8 THz and fall below 1 nm at frequencies greater than 10 THz, indicating localized vibrations. The MFPs extracted from sub-10 nm system-size simulations are used to predict the length-dependence of thermal conductivity up to system sizes of 100 nm and good agreement is found with independent molecular dynamics simulations. Weighting the SDHC by the frequency-dependent quantum occupation function provides a simple and convenient method to account for quantum statistics and provides reasonable agreement with the experimentally-measured trend and magnitude.

  2. Fluctuations of the heat exchanged between two quantum spin chains.

    PubMed

    Landi, Gabriel T; Karevski, Dragi

    2016-03-01

    The statistics of the heat exchanged between two quantum XX spin chains prepared at different temperatures is studied within the assumption of weak coupling. This provides simple formulas for the average heat and its corresponding characteristic function, from which the probability distribution may be computed numerically. These formulas are valid for arbitrary sizes and therefore allow us to analyze the role of the thermodynamic limit in this nonequilibrium setting. It is found that all thermodynamic quantities are extremely sensitive to the quantum phase transition of the XX chain.

  3. Quantum statistical entropy and minimal length of 5D Ricci-flat black string with generalized uncertainty principle

    SciTech Connect

    Liu Molin; Gui Yuanxing; Liu Hongya

    2008-12-15

    In this paper, we study the quantum statistical entropy in a 5D Ricci-flat black string solution, which contains a 4D Schwarzschild-de Sitter black hole on the brane, by using the improved thin-layer method with the generalized uncertainty principle. The entropy is the linear sum of the areas of the event horizon and the cosmological horizon without any cutoff and any constraint on the bulk's configuration rather than the usual uncertainty principle. The system's density of state and free energy are convergent in the neighborhood of horizon. The small-mass approximation is determined by the asymptotic behavior of metric function near horizons. Meanwhile, we obtain the minimal length of the position {delta}x, which is restrained by the surface gravities and the thickness of layer near horizons.

  4. Statistical study of conductance properties in one-dimensional quantum wires focusing on the 0.7 anomaly

    NASA Astrophysics Data System (ADS)

    Smith, L. W.; Al-Taie, H.; Sfigakis, F.; See, P.; Lesage, A. A. J.; Xu, B.; Griffiths, J. P.; Beere, H. E.; Jones, G. A. C.; Ritchie, D. A.; Kelly, M. J.; Smith, C. G.

    2014-07-01

    The properties of conductance in one-dimensional (1D) quantum wires are statistically investigated using an array of 256 lithographically identical split gates, fabricated on a GaAs/AlGaAs heterostructure. All the split gates are measured during a single cooldown under the same conditions. Electron many-body effects give rise to an anomalous feature in the conductance of a one-dimensional quantum wire, known as the "0.7 structure" (or "0.7 anomaly"). To handle the large data set, a method of automatically estimating the conductance value of the 0.7 structure is developed. Large differences are observed in the strength and value of the 0.7 structure [from 0.63 to 0.84×(2e2/h)], despite the constant temperature and identical device design. Variations in the 1D potential profile are quantified by estimating the curvature of the barrier in the direction of electron transport, following a saddle-point model. The 0.7 structure appears to be highly sensitive to the specific confining potential within individual devices.

  5. Non-equilibrium mechanisms of light in the microwave region

    NASA Astrophysics Data System (ADS)

    Mortenson, Juliana H. J.

    2011-09-01

    Quantum mechanics and quantum chemistry have taught for more than 100 years that "photons" associated with microwaves cannot exert photochemical effects because their "photon energies" are smaller than chemical bond energies. Those quantum theories have been strongly contradicted within the last few decades by physical experiments demonstrating non-equilibrium, photochemical and photomaterial activity by microwaves. Reactions among scientists to these real physical models and proofs have varied from disbelief and denial, to acceptance of the real physical phenomena and demands for revisions to quantum theory. At the previous "Nature of Light" meeting, an advance in the foundations of quantum mechanics was presented. Those discoveries have revealed the source of these conflicts between quantum theory and microwave experiments. Critical variables and constants were missing from quantum theory due to a minor mathematical inadvertence in Planck's original quantum work. As a result, erroneous concepts were formed nearly a century ago regarding the energetics and mechanisms of lower frequency light, such as in the microwave region. The new discoveries have revealed that the traditional concept of "photons" mistakenly attributed elementary particle status to what is actually an arbitrarily time-based collection of sub-photonic, elementary particles. In a mathematical dimensional sense, those time-based energy measurements cannot be mathematically equivalent to bond energies as historically believed. Only an "isolated quantity of energy", as De Broglie referred to it, can be equivalent to bond energy. With the aid of the new variables and constants, the non-equilibrium mechanisms of light in the microwave region can now be described. They include resonant absorption, splitting frequency stimulation leading to electronic excitation, and resonant acoustic transduction. Numerous practical engineering applications can be envisioned for non-equilibrium microwaves.

  6. Dynamics of statistical distance: Quantum limits for two-level clocks

    SciTech Connect

    Braunstein, S.L. ); Milburn, G.J. )

    1995-03-01

    We study the evolution of statistical distance on the Bloch sphere under unitary and nonunitary dynamics. This corresponds to studying the limits to clock precision for a clock constructed from a two-state system. We find that the initial motion away from pure states under nonunitary dynamics yields the greatest accuracy for a one-tick'' clock; in this case the clock's precision is not limited by the largest frequency of the system.

  7. PREFACE: Progress in Nonequilibrium Green's Functions IV

    NASA Astrophysics Data System (ADS)

    Bonitz, Michael; Balzer, Karsten

    2010-04-01

    This is the fourth volume1 of articles on the theory of Nonequilibrium Green's functions (NEGF) and their modern application in various fields such as plasma physics, semiconductor physics, molecular electronics and high energy physics. It contains 23 articles written by experts in many-body theory and quantum transport who summarize recent progress in their respective area of research. The articles are based on talks given at the interdisciplinary conference Progress in Nonequilibrium Green's functions IV which was held 17-21 August 2009 at the University of Glasgow, Scotland. This conference continues the tradition of the previous meetings which started in 1999 and which aimed at an informal exchange across field boundaries. The previous meetings and the earlier proceedings proved to be very stimulating not only for young researchers but also for experienced scientists, and we are convinced that this fourth volume will be as successful as the previous ones. As before, this volume includes only extended review-type papers which are written in a way that they are understandable to a broad interdisciplinary audience. All papers published in this volume of Journal of Physics: Conference Series have been peer reviewed through processes administrated by the Editors assuring highest scientific standards. In the review process some papers were substantially revised and improved and some were rejected. This conference would not have been possible without the remarkable work of the local organizing team around John Barker and Scott Roy and the generous financial support from the University of Glasgow and the Deutsche Forschungsgemeinschaft via SFB-Transregio 24. Michael Bonitz and Karsten Balzer Kiel, February 2010 1 The first two volumes are Progress in Nonequilibrium Green's functions, M Bonitz (ed) and Progress in Nonequilibrium Green's functions II, M Bonitz and D Semkat (eds), which were published by World Scientific (Singapore), in 2000 and 2003, respectively (ISBN

  8. Nonequilibrium thermodynamics and fluctuation relations for small systems

    NASA Astrophysics Data System (ADS)

    Cao, Liang; Ke, Pu; Qiao, Li-Yan; Zheng, Zhi-Gang

    2014-07-01

    In this review, we give a retrospect of the recent progress in nonequilibrium statistical mechanics and thermodynamics in small dynamical systems. For systems with only a few number of particles, fluctuations and nonlinearity become significant and contribute to the nonequilibrium behaviors of the systems, hence the statistical properties and thermodynamics should be carefully studied. We review recent developments of this topic by starting from the Gallavotti—Cohen fluctuation theorem, and then to the Evans—Searles transient fluctuation theorem, Jarzynski free-energy equality, and the Crooks fluctuation relation. We also investigate the nonequilibrium free energy theorem for trajectories involving changes of the heat bath temperature and propose a generalized free-energy relation. It should be noticed that the non-Markovian property of the heat bath may lead to the violation of the free-energy relation.

  9. Non-equilibrium Landauer transport model for Hawking radiation from a black hole

    NASA Astrophysics Data System (ADS)

    Nation, P. D.; Blencowe, M. P.; Nori, Franco

    2012-03-01

    We propose that the Hawking radiation energy and entropy flow rates from a black hole can be viewed as a one-dimensional (1D), non-equilibrium Landauer transport process. Support for this viewpoint comes from previous calculations invoking conformal symmetry in the near-horizon region, which give radiation rates that are identical to those of a single 1D quantum channel connected to a thermal reservoir at the Hawking temperature. The Landauer approach shows in a direct way the particle statistics independence of the energy and entropy fluxes of a black hole radiating into vacuum, as well as one near thermal equilibrium with its environment. As an application of the Landauer approach, we show that Hawking radiation gives a net entropy production that is 50% larger than that obtained assuming standard 3D emission into vacuum.

  10. Non-equilibrium 8π Josephson effect in atomic Kitaev wires

    PubMed Central

    Laflamme, C.; Budich, J. C.; Zoller, P.; Dalmonte, M.

    2016-01-01

    The identification of fractionalized excitations, such as Majorana quasi-particles, would be a striking signal of the realization of exotic quantum states of matter. While the paramount demonstration of such excitations would be a probe of their non-Abelian statistics via controlled braiding operations, alternative proposals exist that may be easier to access experimentally. Here we identify a signature of Majorana quasi-particles, qualitatively different from the behaviour of a conventional superconductor, which can be detected in cold atom systems using alkaline-earth-like atoms. The system studied is a Kitaev wire interrupted by an extra site, which gives rise to super-exchange coupling between two Majorana-bound states. We show that this system hosts a tunable, non-equilibrium Josephson effect with a characteristic 8π periodicity of the Josephson current. The visibility of the 8π periodicity of the Josephson current is then studied including the effects of dephasing and particle losses. PMID:27481540

  11. Nonequilibrium thermodynamics of spacetime.

    PubMed

    Eling, Christopher; Guedens, Raf; Jacobson, Ted

    2006-03-31

    It has previously been shown that the Einstein equation can be derived from the requirement that the Clausius relation dS=deltaQ/T hold for all local acceleration horizons through each spacetime point, where is one-quarter the horizon area change in Planck units and deltaQ and T are the energy flux across the horizon and the Unruh temperature seen by an accelerating observer just inside the horizon. Here we show that a curvature correction to the entropy that is polynomial in the Ricci scalar requires a nonequilibrium treatment. The corresponding field equation is derived from the entropy balance relation dS=deltaQ/T+diS, where diS is a bulk viscosity entropy production term that we determine by imposing energy-momentum conservation. Entropy production can also be included in pure Einstein theory by allowing for shear viscosity of the horizon.

  12. Quantum and Non-Equilibrium Processes Division

    DTIC Science & Technology

    2013-03-05

    Electro-energetic Physics Relativistic Magnetron Courtesy M. Bettencourt, AFRL/RDH “Bumpy” Magnetron with ICEPIC RTB PO’s Portfolio’s • Dr. Kent...Miller Remote Sensing & Imaging Physics and Space Sciences Space Weather effects include: • satellite drag • radiation belt perturbations

  13. Computing physical properties with quantum Monte Carlo methods with statistical fluctuations independent of system size.

    PubMed

    Assaraf, Roland

    2014-12-01

    We show that the recently proposed correlated sampling without reweighting procedure extends the locality (asymptotic independence of the system size) of a physical property to the statistical fluctuations of its estimator. This makes the approach potentially vastly more efficient for computing space-localized properties in large systems compared with standard correlated methods. A proof is given for a large collection of noninteracting fragments. Calculations on hydrogen chains suggest that this behavior holds not only for systems displaying short-range correlations, but also for systems with long-range correlations.

  14. Full-counting statistics and phase transition in an open quantum system of non-interacting electrons

    NASA Astrophysics Data System (ADS)

    Medvedyeva, Mariya; Kehrein, Stefan

    2014-03-01

    We develop a method for calculating the full-counting statistics for a non-interacting fermionic system coupled to memory-less reservoirs. The evolution of the system is described by the Lindblad equation. We introduce the counting field in the Lindblad equation which yields the generating function and allows us to obtain all cumulants of the charge transport. In a uniform system the cumulants of order k are independent of the system size for systems longer than k+1 sites. The counting statistics from the Lindblad approach does not take into account the interference in the reservoirs which gives a decreased value of noise in comparison to the Green function approach which describes phase coherent leads. The two methods yield the same value for the current, which is due to current conservation. The Fano factors are different (and linearly related) and allow us to distinguish between memory-less and phase coherent reservoirs. We also consider the influence of dissipation along the chain allowing for both tunneling into and out of the chain along its length. Infinitesimally small dissipation along the chain induces a quantum phase transition which manifests itself as a discontinuity in transport properties and entropy.

  15. A Quantum Chemical and Statistical Study of Cytotoxic Activity of Compounds Isolated from Curcuma zedoaria

    PubMed Central

    Hamdi, Omer Abdalla Ahmed; Anouar, El Hassane; Shilpi, Jamil A.; Trabolsy, Zuhra Bashir Khalifa Al; Zain, Sharifuddin Bin Md; Zakaria, Nur Shahidatul Shida; Zulkefeli, Mohd; Weber, Jean-Frédéric F.; Malek, Sri Nurestri A.; Rahman, Syarifah Nur Syed Abdul; Awang, Khalijah

    2015-01-01

    A series of 21 compounds isolated from Curcuma zedoaria was subjected to cytotoxicity test against MCF7; Ca Ski; PC3 and HT-29 cancer cell lines; and a normal HUVEC cell line. To rationalize the structure–activity relationships of the isolated compounds; a set of electronic; steric and hydrophobic descriptors were calculated using density functional theory (DFT) method. Statistical analyses were carried out using simple and multiple linear regressions (SLR; MLR); principal component analysis (PCA); and hierarchical cluster analysis (HCA). SLR analyses showed that the cytotoxicity of the isolated compounds against a given cell line depend on certain descriptors; and the corresponding correlation coefficients (R2) vary from 0%–55%. MLR results revealed that the best models can be achieved with a limited number of specific descriptors applicable for compounds having a similar basic skeleton. Based on PCA; HCA and MLR analyses; active compounds were classified into subgroups; which was in agreement with the cell based cytotoxicity assay. PMID:25923077

  16. Wave packet and statistical quantum calculations for the He + NeH{sup +} → HeH{sup +} + Ne reaction on the ground electronic state

    SciTech Connect

    Koner, Debasish; Panda, Aditya N.; Barrios, Lizandra; González-Lezana, Tomás

    2014-09-21

    A real wave packet based time-dependent method and a statistical quantum method have been used to study the He + NeH{sup +} (v, j) reaction with the reactant in various ro-vibrational states, on a recently calculated ab initio ground state potential energy surface. Both the wave packet and statistical quantum calculations were carried out within the centrifugal sudden approximation as well as using the exact Hamiltonian. Quantum reaction probabilities exhibit dense oscillatory pattern for smaller total angular momentum values, which is a signature of resonances in a complex forming mechanism for the title reaction. Significant differences, found between exact and approximate quantum reaction cross sections, highlight the importance of inclusion of Coriolis coupling in the calculations. Statistical results are in fairly good agreement with the exact quantum results, for ground ro-vibrational states of the reactant. Vibrational excitation greatly enhances the reaction cross sections, whereas rotational excitation has relatively small effect on the reaction. The nature of the reaction cross section curves is dependent on the initial vibrational state of the reactant and is typical of a late barrier type potential energy profile.

  17. Wave packet and statistical quantum calculations for the He + NeH⁺ → HeH⁺ + Ne reaction on the ground electronic state.

    PubMed

    Koner, Debasish; Barrios, Lizandra; González-Lezana, Tomás; Panda, Aditya N

    2014-09-21

    A real wave packet based time-dependent method and a statistical quantum method have been used to study the He + NeH(+) (v, j) reaction with the reactant in various ro-vibrational states, on a recently calculated ab initio ground state potential energy surface. Both the wave packet and statistical quantum calculations were carried out within the centrifugal sudden approximation as well as using the exact Hamiltonian. Quantum reaction probabilities exhibit dense oscillatory pattern for smaller total angular momentum values, which is a signature of resonances in a complex forming mechanism for the title reaction. Significant differences, found between exact and approximate quantum reaction cross sections, highlight the importance of inclusion of Coriolis coupling in the calculations. Statistical results are in fairly good agreement with the exact quantum results, for ground ro-vibrational states of the reactant. Vibrational excitation greatly enhances the reaction cross sections, whereas rotational excitation has relatively small effect on the reaction. The nature of the reaction cross section curves is dependent on the initial vibrational state of the reactant and is typical of a late barrier type potential energy profile.

  18. The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study.

    PubMed

    Somers, Kieran P; Simmie, John M; Metcalfe, Wayne K; Curran, Henry J

    2014-03-21

    Due to the rapidly growing interest in the use of biomass derived furanic compounds as potential platform chemicals and fossil fuel replacements, there is a simultaneous need to understand the pyrolysis and combustion properties of such molecules. To this end, the potential energy surfaces for the pyrolysis relevant reactions of the biofuel candidate 2-methylfuran have been characterized using quantum chemical methods (CBS-QB3, CBS-APNO and G3). Canonical transition state theory is employed to determine the high-pressure limiting kinetics, k(T), of elementary reactions. Rice-Ramsperger-Kassel-Marcus theory with an energy grained master equation is used to compute pressure-dependent rate constants, k(T,p), and product branching fractions for the multiple-well, multiple-channel reaction pathways which typify the pyrolysis reactions of the title species. The unimolecular decomposition of 2-methylfuran is shown to proceed via hydrogen atom transfer reactions through singlet carbene intermediates which readily undergo ring opening to form collisionally stabilised acyclic C5H6O isomers before further decomposition to C1-C4 species. Rate constants for abstraction by the hydrogen atom and methyl radical are reported, with abstraction from the alkyl side chain calculated to dominate. The fate of the primary abstraction product, 2-furanylmethyl radical, is shown to be thermal decomposition to the n-butadienyl radical and carbon monoxide through a series of ring opening and hydrogen atom transfer reactions. The dominant bimolecular products of hydrogen atom addition reactions are found to be furan and methyl radical, 1-butene-1-yl radical and carbon monoxide and vinyl ketene and methyl radical. A kinetic mechanism is assembled with computer simulations in good agreement with shock tube speciation profiles taken from the literature. The kinetic mechanism developed herein can be used in future chemical kinetic modelling studies on the pyrolysis and oxidation of 2-methylfuran

  19. Available Energy via Nonequilibrium Thermodynamics.

    ERIC Educational Resources Information Center

    Woollett, E. L.

    1979-01-01

    Presents basic relations involving the concept of available energy that are derived from the local equations of nonequilibrium thermodynamics. The equations and applications of the local thermodynamic equilibrium LTD model are also presented. (HM)

  20. Four-level atom dynamics and emission statistics using a quantum jump approach

    NASA Astrophysics Data System (ADS)

    Sandhya, S. N.

    2007-01-01

    Four-level atom dynamics is studied in a ladder system in the nine parameter space consisting of driving field strengths, detunings and decay constants, {Ω1,Ω2,Ω3,Δ1,Δ2,Δ3,Γ2,Γ3,Γ4} . One can selectively excite or induce two-level behavior between particular levels of ones choice by appropriately tuning the driving field strengths at three-photon resonance. The dynamics may be classified into two main regions of interest (i) small Ω2 coupling the ∣2⟩-∣3⟩ transition and (ii) large Ω2 . In case (i) one sees two-level behavior consisting of adjacent levels and in a particular region in the parameter space, there is an intermittent shelving of the electrons in one of the two subsystems. In case (ii) the levels consist of the ground state and the upper most level. Emission statistics is studied using the delay function approach in both the cases. In case (i), the behavior of the second order correlation function g2(t) , is similar to that of two-level emission for low Ω1 coupling the ∣1⟩-∣2⟩ transition, and the correlation increases with Ω1 for smaller time delays. While, in case (ii) when, in addition, Ω3 coupling the ∣3⟩-∣4⟩ transitionis kept low, g2(t) shows superpoissonian distribution, which may be attributed to three-photon processes.

  1. Fermion Mass Renormalization Using Time-dependent Relativistic Quantum Mechanics and Statistical Regularization

    NASA Astrophysics Data System (ADS)

    Kutnink, Timothy; Santrach, Amelia; Hockett, Sarah; Barcus, Scott; Petridis, Athanasios

    2016-09-01

    The time-dependent electromagnetically self-coupled Dirac equation is solved numerically by means of the staggered-leap-frog algorithm with reflecting boundary conditions. The stability region of the method versus the interaction strength and the spatial-grid size over time-step ratio is established. The expectation values of several dynamic operators are then evaluated as functions of time. These include the fermion and electromagnetic energies and the fermion dynamic mass, as the self-interacting spinors are no longer mass-eigenfunctions. There is a characteristic, non-exponential, oscillatory dependence leading to asymptotic constants of these expectation values. In the case of the fermion mass this amounts to renormalization. The dependence of the expectation values on the spatial-grid size is evaluated in detail. Statistical regularization, employing a canonical ensemble whose temperature is the inverse of the grid size, is used to remove the grid-size dependence and produce a finite result in the continuum limit.

  2. Nonequilibrium thermodynamics of nucleation

    SciTech Connect

    Schweizer, M.; Sagis, L. M. C.

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  3. Nonequilibrium thermodynamics of nucleation.

    PubMed

    Schweizer, M; Sagis, L M C

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  4. Nonequilibrium thermodynamics of nucleation

    NASA Astrophysics Data System (ADS)

    Schweizer, M.; Sagis, L. M. C.

    2014-12-01

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  5. Landau superfluids as nonequilibrium stationary states

    SciTech Connect

    Wreszinski, Walter F.

    2015-01-15

    We define a superfluid state to be a nonequilibrium stationary state (NESS), which, at zero temperature, satisfies certain metastability conditions, which physically express that there should be a sufficiently small energy-momentum transfer between the particles of the fluid and the surroundings (e.g., pipe). It is shown that two models, the Girardeau model and the Huang-Yang-Luttinger (HYL) model, describe superfluids in this sense and, moreover, that, in the case of the HYL model, the metastability condition is directly related to Nozières’ conjecture that, due to the repulsive interaction, the condensate does not suffer fragmentation into two (or more) parts, thereby assuring its quantum coherence. The models are rigorous examples of NESS in which the system is not finite, but rather a many-body system.

  6. A comparison of quantum and quasiclassical statistical models for reactions of electronically excited atoms with molecular hydrogen.

    PubMed

    Aoiz, F J; González-Lezana, T; Sáez Rábanos, V

    2008-09-07

    A detailed comparison of statistical models based on the quasiclassical trajectory (SQCT) and quantum mechanical (SQM) methods is presented in this work for the C((1)D)+H(2), S((1)D)+H(2), O((1)D)+H(2) and N((2)D)+H(2) insertion reactions. Reaction probabilities, integral (ICS) and differential (DCS) cross sections at different levels of product's state resolution are shown and discussed for these reactions. The agreement is in most cases excellent and indicates that the effect of tunneling through the centrifugal barrier is negligible. However, if there exists a dynamical barrier, as in the case of the N((2)D)+H(2) reaction, some of the SQM results can be slightly different than those calculated with the SQCT model. The rationale of the observed similarities and discrepancies can be traced back to the specific topologies of the potential energy surfaces for each of the reactions examined. The SQCT model is sensitive enough to show the relatively small inaccuracies resulting from the decoupling inherent to the centrifugal sudden approximation when used in the SQM calculations. In addition, the effect of ignoring the parity conservation is also examined. This effect is in general minor except in particular cases such as the DCS from initial rotational state j=0, which requires, in order to reproduce the sharp forward and backward peaks, the explicit conservation of parity.

  7. Influence of non-gaussian statistics and dynamic non-locality in temporal evolution of open quantum systems

    NASA Astrophysics Data System (ADS)

    Florez, Carlos; Pachón, Leonardo

    2015-03-01

    The study of quantum dissipation and non-local dynamics in phase space demands an extension of the Ullersma-Caldeira-Leggett framework to include non-linearities either in the system or the bath or even in the couplings between them. In this work, the special case of a linear open system interacting with a harmonic thermal bath by means of non-linear couplings is considered. This framework is constructed by extending the path integral formulation into phase space and applying the Feynam-Vernon influence functional theory to study the perturbative regime at different orders in the couplings. In doing so, the formal correspondence between the perturbative contributions and the Feynman diagrams that arise from the n-point correlation functions in the canonical variables are used. The effect of the non-local behavior induced by the non-linear contributions on the dissipative and decohering mechanisms are analyzed. The main features are the presence of non-Gaussian statistics and multiplicative, instead of additive, noises.

  8. Information in statistical physics

    NASA Astrophysics Data System (ADS)

    Balian, Roger

    We review with a tutorial scope the information theory foundations of quantum statistical physics. Only a small proportion of the variables that characterize a system at the microscopic scale can be controlled, for both practical and theoretical reasons, and a probabilistic description involving the observers is required. The criterion of maximum von Neumann entropy is then used for making reasonable inferences. It means that no spurious information is introduced besides the known data. Its outcomes can be given a direct justification based on the principle of indifference of Laplace. We introduce the concept of relevant entropy associated with some set of relevant variables; it characterizes the information that is missing at the microscopic level when only these variables are known. For equilibrium problems, the relevant variables are the conserved ones, and the Second Law is recovered as a second step of the inference process. For non-equilibrium problems, the increase of the relevant entropy expresses an irretrievable loss of information from the relevant variables towards the irrelevant ones. Two examples illustrate the flexibility of the choice of relevant variables and the multiplicity of the associated entropies: the thermodynamic entropy (satisfying the Clausius-Duhem inequality) and the Boltzmann entropy (satisfying the H -theorem). The identification of entropy with missing information is also supported by the paradox of Maxwell's demon. Spin-echo experiments show that irreversibility itself is not an absolute concept: use of hidden information may overcome the arrow of time.

  9. Andreev Bound States Formation and Quasiparticle Trapping in Quench Dynamics Revealed by Time-Dependent Counting Statistics

    NASA Astrophysics Data System (ADS)

    Souto, R. Seoane; Martín-Rodero, A.; Yeyati, A. Levy

    2016-12-01

    We analyze the quantum quench dynamics in the formation of a phase-biased superconducting nanojunction. We find that in the absence of an external relaxation mechanism and for very general conditions the system gets trapped in a metastable state, corresponding to a nonequilibrium population of the Andreev bound states. The use of the time-dependent full counting statistics analysis allows us to extract information on the asymptotic population of even and odd many-body states, demonstrating that a universal behavior, dependent only on the Andreev state energy, is reached in the quantum point contact limit. These results shed light on recent experimental observations on quasiparticle trapping in superconducting atomic contacts.

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

    NASA Astrophysics Data System (ADS)

    Ngo, Van Anh

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

  11. Non-Equilibrium Effects on Hypersonic Turbulent Boundary Layers

    NASA Astrophysics Data System (ADS)

    Kim, Pilbum

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

  12. Studying non-equilibrium many-body dynamics using one-dimensional Bose gases

    SciTech Connect

    Langen, Tim; Gring, Michael; Kuhnert, Maximilian; Rauer, Bernhard; Geiger, Remi; Mazets, Igor; Smith, David Adu; Schmiedmayer, Jörg; Kitagawa, Takuya; Demler, Eugene

    2014-12-04

    Non-equilibrium dynamics of isolated quantum many-body systems play an important role in many areas of physics. However, a general answer to the question of how these systems relax is still lacking. We experimentally study the dynamics of ultracold one-dimensional (1D) Bose gases. This reveals the existence of a quasi-steady prethermalized state which differs significantly from the thermal equilibrium of the system. Our results demonstrate that the dynamics of non-equilibrium quantum many-body systems is a far richer process than has been assumed in the past.

  13. Nonequilibrium stationary states and entropy.

    PubMed

    Gallavotti, G; Cohen, E G D

    2004-03-01

    In transformations between nonequilibrium stationary states, entropy might not be a well defined concept. It might be analogous to the "heat content" in transformations in equilibrium which is not well defined either, if they are not isochoric (i.e., do involve mechanical work). Hence we conjecture that in a nonequilibrium stationary state the entropy is just a quantity that can be transferred or created, such as heat in equilibrium, but has no physical meaning as "entropy content" as a property of the system.

  14. Nonequilibrium detonation of composite explosives

    SciTech Connect

    Nichols III, A.L.

    1997-07-01

    The effect of nonequilibrium diffusional flow on detonation velocities in composite explosives is examined. Detonation conditions are derived for complete equilibrium, temperature and pressure equilibrium, and two forms of pressure equilibrium. Partial equilibria are associated with systems which have not had sufficient time for transport to smooth out the gradients between spatially separate regions. The nonequilibrium detonation conditions are implemented in the CHEQ equation of state code. We show that the detonation velocity decreases as the non-chemical degrees of freedom of the explosive are allowed to equilibrate. It is only when the chemical degrees of freedom are allowed to equilibrate that the detonation velocity increases.

  15. Physics in the `Once Given' Universe: New Perspectives on Dynamics, Relativity, Quantum Spectra and the Spin-statistics Connection

    NASA Astrophysics Data System (ADS)

    Unnikrishnan, C. S.

    The fact that the fundamental theories of physics were completed well before any significant knowledge about the real universe and its enormous gravity was available necessitates a re-examination of these theories, especially that of dynamics and relativity. The results of this analysis, along with several experimental facts, reveal that the matter frame of the universe provides a preferred absolute frame and that its gravity determines the laws of motion. Newton's law of motion arises as a relativistic gravito-magnetic effect, the equivalence principle as a natural consequence of the gravitational reaction to motion in the massive universe, and the familiar dilation of the rates of clocks as a cosmic gravitational time dilation with absolute cosmic frame velocity as a key factor. In the quantum regime, partial contribution to the fine structure splitting of spectral lines, and the phases that determine the vastly different collective behavior of fermions and bosons are also linked to cosmic gravity; phenomena like Bose-Einstein condensation and Fermi pressure seem to have a cosmic connection. For the first time we seem to be able to grasp the physical basis of the spin-statistics connection as linked to a fundamental universal interaction. These ideas of cosmic relativity unify kinematics and dynamics, answering outstanding fundamental questions. A new experiment to compare the true one-way speed of light in different directions relative to an inertially moving observer, as well as a reanalysis of several earlier experiments on the propagation of light confirm the importance of the cosmic absolute frame. These results, with firm empirical support, imply important revisions in the theoretical physics of motion and relativity.

  16. On Typicality in Nonequilibrium Steady States

    NASA Astrophysics Data System (ADS)

    Evans, Denis J.; Williams, Stephen R.; Searles, Debra J.; Rondoni, Lamberto

    2016-08-01

    From the statistical mechanical viewpoint, relaxation of macroscopic systems and response theory rest on a notion of typicality, according to which the behavior of single macroscopic objects is given by appropriate ensembles: ensemble averages of observable quantities represent the measurements performed on single objects, because " almost all" objects share the same fate. In the case of non-dissipative dynamics and relaxation toward equilibrium states, " almost all" is referred to invariant probability distributions that are absolutely continuous with respect to the Lebesgue measure. In other words, the collection of initial micro-states (single systems) that do not follow the ensemble is supposed to constitute a set of vanishing, phase space volume. This approach is problematic in the case of dissipative dynamics and relaxation to nonequilibrium steady states, because the relevant invariant distributions attribute probability 1 to sets of zero volume, while evolution commonly begins in equilibrium states, i.e., in sets of full phase space volume. We consider the relaxation of classical, thermostatted particle systems to nonequilibrium steady states. We show that the dynamical condition known as Ω T-mixing is necessary and sufficient for relaxation of ensemble averages to steady state values. Moreover, we find that the condition known as weak T-mixing applied to smooth observables is sufficient for ensemble relaxation to be independent of the initial ensemble. Lastly, we show that weak T-mixing provides a notion of typicality for dissipative dynamics that is based on the (non-invariant) Lebesgue measure, and that we call physical ergodicity.

  17. Improved master equation approach to quantum transport: from Born to self-consistent Born approximation.

    PubMed

    Jin, Jinshuang; Li, Jun; Liu, Yu; Li, Xin-Qi; Yan, YiJing

    2014-06-28

    Beyond the second-order Born approximation, we propose an improved master equation approach to quantum transport under self-consistent Born approximation. The basic idea is to replace the free Green's function in the tunneling self-energy diagram by an effective reduced propagator under the Born approximation. This simple modification has remarkable consequences. It not only recovers the exact results for quantum transport through noninteracting systems under arbitrary voltages, but also predicts the challenging nonequilibrium Kondo effect. Compared to the nonequilibrium Green's function technique that formulates the calculation of specific correlation functions, the master equation approach contains richer dynamical information to allow more efficient studies for such as the shot noise and full counting statistics.

  18. Complex quantum network geometries: Evolution and phase transitions

    NASA Astrophysics Data System (ADS)

    Bianconi, Ginestra; Rahmede, Christoph; Wu, Zhihao

    2015-08-01

    Networks are topological and geometric structures used to describe systems as different as the Internet, the brain, or the quantum structure of space-time. Here we define complex quantum network geometries, describing the underlying structure of growing simplicial 2-complexes, i.e., simplicial complexes formed by triangles. These networks are geometric networks with energies of the links that grow according to a nonequilibrium dynamics. The evolution in time of the geometric networks is a classical evolution describing a given path of a path integral defining the evolution of quantum network states. The quantum network states are characterized by quantum occupation numbers that can be mapped, respectively, to the nodes, links, and triangles incident to each link of the network. We call the geometric networks describing the evolution of quantum network states the quantum geometric networks. The quantum geometric networks have many properties common to complex networks, including small-world property, high clustering coefficient, high modularity, and scale-free degree distribution. Moreover, they can be distinguished between the Fermi-Dirac network and the Bose-Einstein network obeying, respectively, the Fermi-Dirac and Bose-Einstein statistics. We show that these networks can undergo structural phase transitions where the geometrical properties of the networks change drastically. Finally, we comment on the relation between quantum complex network geometries, spin networks, and triangulations.

  19. Dynamic relaxation of a levitated nanoparticle from a non-equilibrium steady state.

    PubMed

    Gieseler, Jan; Quidant, Romain; Dellago, Christoph; Novotny, Lukas

    2014-05-01

    Fluctuation theorems are a generalization of thermodynamics on small scales and provide the tools to characterize the fluctuations of thermodynamic quantities in non-equilibrium nanoscale systems. They are particularly important for understanding irreversibility and the second law in fundamental chemical and biological processes that are actively driven, thus operating far from thermal equilibrium. Here, we apply the framework of fluctuation theorems to investigate the important case of a system relaxing from a non-equilibrium state towards equilibrium. Using a vacuum-trapped nanoparticle, we demonstrate experimentally the validity of a fluctuation theorem for the relative entropy change occurring during relaxation from a non-equilibrium steady state. The platform established here allows non-equilibrium fluctuation theorems to be studied experimentally for arbitrary steady states and can be extended to investigate quantum fluctuation theorems as well as systems that do not obey detailed balance.

  20. Non-equilibrium supramolecular polymerization.

    PubMed

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

    2017-03-28

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

  1. Structures of nonequilibrium fluctuations: dissipation and activity

    NASA Astrophysics Data System (ADS)

    Wynants, Bram

    2010-11-01

    We discuss research done in two important areas of nonequilibrium statistical mechanics: fluctuation dissipation relations and dynamical fluctuations. In equilibrium systems the fluctuation-dissipation theorem gives a simple relation between the response of observables to a perturation and correlation functions in the unperturbed system. Our contribution here is an investigation of the form of the response function for systems out of equilibrium. Furthermore, we use the theory of large deviations to examine dynamical fluctuations in systems out of equilibrium. In dynamical fluctuation theory we consider two kinds of observables: occupations (describing the fraction of time the system spends in each configuration) and currents (describing the changes of configuration the system makes). We explain how to compute the rate functions of the large deviations, and what the physical quantities are that govern their form.

  2. Nonequilibrium effects in the energy distribution function

    NASA Astrophysics Data System (ADS)

    Burns, George; Cohen, L. Kenneth

    1983-03-01

    The relative nonequilibrium energy distribution function, in the steady state for the irreversibly reacting Br2 in an argon system at 3500 K, is calculated. It is based upon 44 400 classical 3D trajectories, and uses the single uniform ensemble method [H. D. Kutz and G. Burns, J. Chem. Phys. 72, 3562 (1980)]. Although the raw data display a considerable scatter, they clearly indicate a depletion from the equilibrium distribution function over a wide energy range. A careful statistical study of the data is performed. It is found that their histograms can be described over the entire possible energy range by a simple analytical function with only one adjustable parameter. The best fitting procedure yields a surprisingly narrow goodness of fit. However, an apparent deviation of the fit from the data is observed in the energy region where the reaction channel opens. To that extent, this work sheds a new light on the nature of the steady state in an irreversible reaction.

  3. Work and quantum phase transitions: quantum latency.

    PubMed

    Mascarenhas, E; Bragança, H; Dorner, R; França Santos, M; Vedral, V; Modi, K; Goold, J

    2014-06-01

    We study the physics of quantum phase transitions from the perspective of nonequilibrium thermodynamics. For first-order quantum phase transitions, we find that the average work done per quench in crossing the critical point is discontinuous. This leads us to introduce the quantum latent work in analogy with the classical latent heat of first order classical phase transitions. For second order quantum phase transitions the irreversible work is closely related to the fidelity susceptibility for weak sudden quenches of the system Hamiltonian. We demonstrate our ideas with numerical simulations of first, second, and infinite order phase transitions in various spin chain models.

  4. Nonequilibrium mesoscopic conductance fluctuations

    NASA Astrophysics Data System (ADS)

    Ludwig, T.; Blanter, Ya. M.; Mirlin, A. D.

    2004-12-01

    We investigate the amplitude of mesoscopic fluctuations of the differential conductance of a metallic wire at arbitrary bias voltage V . For noninteracting electrons, the variance ⟨δg2⟩ increases with V . The asymptotic large- V behavior is ⟨δg2⟩˜V/Vc (where eVc=D/L2 is the Thouless energy), in agreement with the earlier prediction by Larkin and Khmelnitskii. We find, however, that this asymptotics has a very small numerical prefactor and sets in at very large V/Vc only, which strongly complicates its experimental observation. This high-voltage behavior is preceded by a crossover regime, V/Vc≲30 , where the conductance variance increases by a factor ˜3 as compared to its value in the regime of universal conductance fluctuations (i.e., at V→0 ). We further analyze the effect of dephasing due to the electron-electron scattering on ⟨δg2⟩ at high voltages. With the Coulomb interaction taken into account, the amplitude of conductance fluctuations becomes a nonmonotonic function of V . Specifically, ⟨δg2⟩ drops as 1/V for voltages V≫gVc , where g is the dimensionless conductance. In this regime, the conductance fluctuations are dominated by quantum-coherent regions of the wire adjacent to the reservoirs.

  5. Kinetics of the benzyl + O(3P) reaction: a quantum chemical/statistical reaction rate theory study.

    PubMed

    da Silva, Gabriel; Bozzelli, Joseph W

    2012-12-14

    The resonance stabilized benzyl radical is an important intermediate in the combustion of aromatic hydrocarbons and in polycyclic aromatic hydrocarbon (PAH) formation in flames. Despite being a free radical, benzyl is relatively stable in thermal, oxidizing environments, and is predominantly removed through bimolecular reactions with open-shell species other than O(2). In this study the reaction of benzyl with ground-state atomic oxygen, O((3)P), is examined using quantum chemistry and statistical reaction rate theory. C(7)H(7)O energy surfaces are generated at the G3SX level, and include several novel pathways. Transition state theory is used to describe elementary reaction kinetics, with canonical variational transition state theory applied for barrierless O atom association with benzyl. Apparent rate constants and branching ratios to different product sets are obtained as a function of temperature and pressure from solving the time-dependent master equation, with RRKM theory for microcanonical k(E). These simulations indicate that the benzyl + O reaction predominantly forms the phenyl radical (C(6)H(5)) plus formaldehyde (HCHO), with lesser quantities of the C(7)H(6)O products benzaldehyde, ortho-quinone methide, and para-quinone methide (+H), along with minor amounts of the formyl radical (HCO) + benzene. Addition of O((3)P) to the methylene site in benzyl produces a highly vibrationally excited C(7)H(7)O* adduct, the benzoxyl radical, which can β-scission to benzaldehyde + H and phenyl + HCHO. In order to account for the experimental observation of benzene as the major reaction product, a roaming radical mechanism is proposed that converts the nascent products phenyl and HCHO to benzene + HCO. Oxygen atom addition at the ortho and para ring sites in benzyl, which has not been previously considered, is shown to lead to the quinone methides + H; these species are less-stable isomers of benzaldehyde that are proposed as important combustion intermediates, but

  6. Ergodic dynamics and thermalization in an isolated quantum system

    NASA Astrophysics Data System (ADS)

    Neill, C.; Roushan, P.; Fang, M.; Chen, Y.; Kolodrubetz, M.; Chen, Z.; Megrant, A.; Barends, R.; Campbell, B.; Chiaro, B.; Dunsworth, A.; Jeffrey, E.; Kelly, J.; Mutus, J.; O'Malley, P. J. J.; Quintana, C.; Sank, D.; Vainsencher, A.; Wenner, J.; White, T. C.; Polkovnikov, A.; Martinis, J. M.

    2016-11-01

    Statistical mechanics is founded on the assumption that all accessible configurations of a system are equally likely. This requires dynamics that explore all states over time, known as ergodic dynamics. In isolated quantum systems, however, the occurrence of ergodic behaviour has remained an outstanding question. Here, we demonstrate ergodic dynamics in a small quantum system consisting of only three superconducting qubits. The qubits undergo a sequence of rotations and interactions and we measure the evolution of the density matrix. Maps of the entanglement entropy show that the full system can act like a reservoir for individual qubits, increasing their entropy through entanglement. Surprisingly, these maps bear a strong resemblance to the phase space dynamics in the classical limit; classically, chaotic motion coincides with higher entanglement entropy. We further show that in regions of high entropy the full multi-qubit system undergoes ergodic dynamics. Our work illustrates how controllable quantum systems can investigate fundamental questions in non-equilibrium thermodynamics.

  7. Path Integrals for Electronic Densities, Reactivity Indices, and Localization Functions in Quantum Systems

    PubMed Central

    Putz, Mihai V.

    2009-01-01

    The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr’s quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions – all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems. PMID:20087467

  8. Path integrals for electronic densities, reactivity indices, and localization functions in quantum systems.

    PubMed

    Putz, Mihai V

    2009-11-10

    The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr's quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions - all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems.

  9. Nonequilibrium evolution of strong-field anisotropic ionized electrons towards a delayed plasma-state.

    PubMed

    Pasenow, B; Moloney, J V; Koch, S W; Chen, S H; Becker, A; Jaroń-Becker, A

    2012-01-30

    Rigorous quantum calculations of the femtosecond ionization of hydrogen atoms in air lead to highly anisotropic electron and ion angular (momentum) distributions. A quantum Monte-Carlo analysis of the subsequent many-body dynamics reveals two distinct relaxation steps, first to a nearly isotropic hot nonequilibrium and then to a quasi-equilibrium configuration. The collective isotropic plasma state is reached on a picosecond timescale well after the ultrashort ionizing pulse has passed.

  10. Statistical nanoscale study of localised radiative transitions in GaN/AlGaN quantum wells and AlGaN epitaxial layers

    NASA Astrophysics Data System (ADS)

    Rigutti, L.; Mancini, L.; Lefebvre, W.; Houard, J.; Hernàndez-Maldonado, D.; Di Russo, E.; Giraud, E.; Butté, R.; Carlin, J.-F.; Grandjean, N.; Blavette, D.; Vurpillot, F.

    2016-09-01

    Compositional disorder has important consequences on the optical properties of III-nitride ternary alloys. In AlGaN epilayers and AlGaN-based quantum heterostructures, the potential fluctuations induced by such disorder lead to the localisation of carriers at low temperature, which affects their transition energies. Using the correlations between micro-photoluminescence, scanning transmission electron microscopy and atom probe tomography we have analysed the optical behaviour of Al0.25Ga0.75N epilayers and that of GaN/AlGaN quantum wells, and reconstructed in three dimensions the distribution of chemical species with sub-nanometre spatial resolution. These composition maps served as the basis for the effective mass calculation of electrons and holes involved in radiative transitions. Good statistical predictions were subsequently obtained for the above-mentioned transition and localisation energies by establishing a link with their microstructural properties.

  11. Simulating biochemical physics with computers: 1. Enzyme catalysis by phosphotriesterase and phosphodiesterase; 2. Integration-free path-integral method for quantum-statistical calculations

    NASA Astrophysics Data System (ADS)

    Wong, Kin-Yiu

    We have simulated two enzymatic reactions with molecular dynamics (MD) and combined quantum mechanical/molecular mechanical (QM/MM) techniques. One reaction is the hydrolysis of the insecticide paraoxon catalyzed by phosphotriesterase (PTE). PTE is a bioremediation candidate for environments contaminated by toxic nerve gases (e.g., sarin) or pesticides. Based on the potential of mean force (PMF) and the structural changes of the active site during the catalysis, we propose a revised reaction mechanism for PTE. Another reaction is the hydrolysis of the second-messenger cyclic adenosine 3'-5'-monophosphate (cAMP) catalyzed by phosphodiesterase (PDE). Cyclicnucleotide PDE is a vital protein in signal-transduction pathways and thus a popular target for inhibition by drugs (e.g., ViagraRTM). A two-dimensional (2-D) free-energy profile has been generated showing that the catalysis by PDE proceeds in a two-step SN2-type mechanism. Furthermore, to characterize a chemical reaction mechanism in experiment, a direct probe is measuring kinetic isotope effects (KIEs). KIEs primarily arise from internuclear quantum-statistical effects, e.g., quantum tunneling and quantization of vibration. To systematically incorporate the quantum-statistical effects during MD simulations, we have developed an automated integration-free path-integral (AIF-PI) method based on Kleinert's variational perturbation theory for the centroid density of Feynman's path integral. Using this analytic method, we have performed ab initio pathintegral calculations to study the origin of KIEs on several series of proton-transfer reactions from carboxylic acids to aryl substituted alpha-methoxystyrenes in water. In addition, we also demonstrate that the AIF-PI method can be used to systematically compute the exact value of zero-point energy (beyond the harmonic approximation) by simply minimizing the centroid effective potential.

  12. Thermometry of ultracold atoms via nonequilibrium work distributions

    NASA Astrophysics Data System (ADS)

    Johnson, T. H.; Cosco, F.; Mitchison, M. T.; Jaksch, D.; Clark, S. R.

    2016-05-01

    Estimating the temperature of a cold quantum system is difficult. Usually one measures a well-understood thermal state and uses that prior knowledge to infer its temperature. In contrast, we introduce a method of thermometry that assumes minimal knowledge of the state of a system and is potentially nondestructive. Our method uses a universal temperature dependence of the quench dynamics of an initially thermal system coupled to a qubit probe that follows from the Tasaki-Crooks theorem for nonequilibrium work distributions. We provide examples for a cold-atom system, in which our thermometry protocol may retain accuracy and precision at subnano-Kelvin temperatures.

  13. Localization protected quantum order

    NASA Astrophysics Data System (ADS)

    Nandkishore, Rahul

    2015-03-01

    Many body localization occurs in isolated quantum systems, usually with strong disorder, and is marked by absence of dissipation, absence of thermal equilibration, and a memory of the initial conditions that survives in local observables for arbitrarily long times. The many body localized regime is a non-equilibrium, strongly disordered, non-self averaging regime that presents a new frontier for quantum statistical mechanics. In this talk, I point out that there exists a vast zoo of correlated many body localized states of matter, which may be classified using familiar notions of spontaneous symmetry breaking and topological order. I will point out that in the many body localized regime, spontaneous symmetry breaking can occur even at high energy densities in one dimensional systems, and topological order can occur even without a bulk gap. I will also discuss the phenomenology of imperfectly isolated many body localized systems, which are weakly coupled to a heat bath. I will conclude with a brief discussion of how these phenomena may best be detected in experiments. Collaborators: David Huse, S.L. Sondhi, Arijeet Pal, Vadim Oganesyan, A.C. Potter, Sarang Gopalakrishnan, S. Johri, R.N. Bhatt.

  14. Nonequilibrium thermodynamics. II. Application to inhomogeneous systems.

    PubMed

    Gujrati, P D

    2012-04-01

    We provide an extension of a recent approach to study nonequilibrium thermodynamics [Gujrati, Phys. Rev. E 81, 051130 (2010), to be denoted by I in this work] to inhomogeneous systems by considering the latter to be composed of quasi-independent subsystems. The system Σ along with the (macroscopically extremely large) medium Σ[over ̃] form an isolated system Σ0. The fields (temperature, pressure, etc.) of Σ and Σ[over ̃] differ unless at equilibrium. We show that the additivity of entropy requires quasi-independence of the subsystems, which results from the interaction energies between different subsystems being negligible so the energy also becomes additive. The thermodynamic potentials such as the Gibbs free energy that continuously decrease during approach to equilibrium are determined by the fields of the medium and exist no matter how far the subsystems are out of equilibrium, so their fields may not even exist. This and the requirement of quasi-independence make our approach differ from the conventional approach used by de Groot and others, as discussed in the text. We find it useful to introduce the time-dependent Gibbs statistical entropy for Σ0, from which we derive the Gibbs entropy of Σ; in equilibrium this entropy reduces to the equilibrium thermodynamic entropy. As the energy depends on the frame of reference, the thermodynamic potentials and the Gibbs fundamental relation, but not the entropy, depend on the frame of reference. The possibility of relative motion between subsystems described by their net linear and angular momenta gives rise to viscous dissipation. The concept of internal equilibrium introduced in I is developed further here and its important consequences are discussed for inhomogeneous systems. The concept of internal variables (various examples are given in the text) as variables that cannot be controlled by the observer for nonequilibrium evolution is also discussed. They are important because the concept of internal

  15. Memory effects and virial corrections in nonequilibrium dense systems

    SciTech Connect

    Morawetz, K.; Roepke, G.

    1995-05-01

    A dense interacting Bose or Fermi gas is considered. Within the Kadanoff-Baym real-time Green-function technique a generalized kinetic equation is derived in the nonequilibrium ladder approximation. As a Markovian limit the Boltzmann-Uehling-Uhlenbeck equation is recovered. The relevance of retardation effects in the kinetic equation of dense systems is shown. It turns out that the stationary solution of the generalized kinetic equation reproduces the second virial coefficient of the equation of state, including the Beth-Uhlenbeck quantum corrections. We establish a generalized kinetic equation describing correlation effects in a consistent approach to nonequilibrium for Bose and Fermi systems. In this way we give a generalization of the Beth-Uhlenbeck formula that applies to nonequilibrium and to finite systems. The derivation makes use of the time dependent {ital T}-matrix equation, which establishes a generalization of the Bethe-Goldstone equation. The correlated parts of the density and energy, which can be interpreted as virial corrections, are thermodynamically consistent. In this way global energy conservation is fulfilled.

  16. Strong quantum memory at resonant Fermi edges revealed by shot noise.

    PubMed

    Ubbelohde, N; Roszak, K; Hohls, F; Maire, N; Haug, R J; Novotný, T

    2012-01-01

    Studies of non-equilibrium current fluctuations enable assessing correlations involved in quantum transport through nanoscale conductors. They provide additional information to the mean current on charge statistics and the presence of coherence, dissipation, disorder, or entanglement. Shot noise, being a temporal integral of the current autocorrelation function, reveals dynamical information. In particular, it detects presence of non-Markovian dynamics, i.e., memory, within open systems, which has been subject of many current theoretical studies. We report on low-temperature shot noise measurements of electronic transport through InAs quantum dots in the Fermi-edge singularity regime and show that it exhibits strong memory effects caused by quantum correlations between the dot and fermionic reservoirs. Our work, apart from addressing noise in archetypical strongly correlated system of prime interest, discloses generic quantum dynamical mechanism occurring at interacting resonant Fermi edges.

  17. Non-Poissonian quantum jumps of a fluxonium qubit due to quasiparticle excitations.

    PubMed

    Vool, U; Pop, I M; Sliwa, K; Abdo, B; Wang, C; Brecht, T; Gao, Y Y; Shankar, S; Hatridge, M; Catelani, G; Mirrahimi, M; Frunzio, L; Schoelkopf, R J; Glazman, L I; Devoret, M H

    2014-12-12

    As the energy relaxation time of superconducting qubits steadily improves, nonequilibrium quasiparticle excitations above the superconducting gap emerge as an increasingly relevant limit for qubit coherence. We measure fluctuations in the number of quasiparticle excitations by continuously monitoring the spontaneous quantum jumps between the states of a fluxonium qubit, in conditions where relaxation is dominated by quasiparticle loss. Resolution on the scale of a single quasiparticle is obtained by performing quantum nondemolition projective measurements within a time interval much shorter than T₁, using a quantum-limited amplifier (Josephson parametric converter). The quantum jump statistics switches between the expected Poisson distribution and a non-Poissonian one, indicating large relative fluctuations in the quasiparticle population, on time scales varying from seconds to hours. This dynamics can be modified controllably by injecting quasiparticles or by seeding quasiparticle-trapping vortices by cooling down in a magnetic field.

  18. Strong quantum memory at resonant Fermi edges revealed by shot noise

    PubMed Central

    Ubbelohde, N.; Roszak, K.; Hohls, F.; Maire, N.; Haug, R. J.; Novotný, T.

    2012-01-01

    Studies of non-equilibrium current fluctuations enable assessing correlations involved in quantum transport through nanoscale conductors. They provide additional information to the mean current on charge statistics and the presence of coherence, dissipation, disorder, or entanglement. Shot noise, being a temporal integral of the current autocorrelation function, reveals dynamical information. In particular, it detects presence of non-Markovian dynamics, i.e., memory, within open systems, which has been subject of many current theoretical studies. We report on low-temperature shot noise measurements of electronic transport through InAs quantum dots in the Fermi-edge singularity regime and show that it exhibits strong memory effects caused by quantum correlations between the dot and fermionic reservoirs. Our work, apart from addressing noise in archetypical strongly correlated system of prime interest, discloses generic quantum dynamical mechanism occurring at interacting resonant Fermi edges. PMID:22530093

  19. Nonequilibrium chemistry boundary layer integral matrix procedure

    NASA Technical Reports Server (NTRS)

    Tong, H.; Buckingham, A. C.; Morse, H. L.

    1973-01-01

    The development of an analytic procedure for the calculation of nonequilibrium boundary layer flows over surfaces of arbitrary catalycities is described. An existing equilibrium boundary layer integral matrix code was extended to include nonequilibrium chemistry while retaining all of the general boundary condition features built into the original code. For particular application to the pitch-plane of shuttle type vehicles, an approximate procedure was developed to estimate the nonequilibrium and nonisentropic state at the edge of the boundary layer.

  20. Quantum dissipation theory and applications to quantum transport and quantum measurement in mesoscopic systems

    NASA Astrophysics Data System (ADS)

    Cui, Ping

    The thesis comprises two major themes of quantum statistical dynamics. One is the development of quantum dissipation theory (QDT). It covers the establishment of some basic relations of quantum statistical dynamics, the construction of several nonequivalent complete second-order formulations, and the development of exact QDT. Another is related to the applications of quantum statistical dynamics to a variety of research fields. In particular, unconventional but novel theories of the electron transfer in Debye solvents, quantum transport, and quantum measurement are developed on the basis of QDT formulations. The thesis is organized as follows. In Chapter 1, we present some background knowledge in relation to the aforementioned two themes of this thesis. The key quantity in QDT is the reduced density operator rho(t) ≡ trBrho T(t); i.e., the partial trace of the total system and bath composite rhoT(t) over the bath degrees of freedom. QDT governs the evolution of reduced density operator, where the effects of bath are treated in a quantum statistical manner. In principle, the reduced density operator contains all dynamics information of interest. However, the conventional quantum transport theory is formulated in terms of nonequilibrium Green's function. The newly emerging field of quantum measurement in relation to quantum information and quantum computing does exploit a sort of QDT formalism. Besides the background of the relevant theoretical development, some representative experiments on molecular nanojunctions are also briefly discussed. In chapter 2, we outline some basic (including new) relations that highlight several important issues on QDT. The content includes the background of nonequilibrium quantum statistical mechanics, the general description of the total composite Hamiltonian with stochastic system-bath interaction, a novel parameterization scheme for bath correlation functions, a newly developed exact theory of driven Brownian oscillator (DBO

  1. Free energy surfaces from nonequilibrium processes without work measurement.

    PubMed

    Adib, Artur B

    2006-04-14

    Recent developments in statistical mechanics have allowed the estimation of equilibrium free energies from the statistics of work measurements during processes that drive the system out of equilibrium. Here a different class of processes is considered, wherein the system is prepared and released from a nonequilibrium state, and no external work is involved during its observation. For such "clamp-and-release" processes, a simple strategy for the estimation of equilibrium free energies is offered. The method is illustrated with numerical simulations and analyzed in the context of tethered single-molecule experiments.

  2. Nonequilibrium kinetic theory for trapped binary condensates

    NASA Astrophysics Data System (ADS)

    Edmonds, M. J.; Lee, K. L.; Proukakis, N. P.

    2015-12-01

    We derive a nonequilibrium finite-temperature kinetic theory for a binary mixture of two interacting atomic Bose-Einstein condensates and use it to explore the degree of hydrodynamicity attainable in realistic experimental geometries. Based on the standard separation-of-time-scales argument of kinetic theory, the dynamics of the condensates of the multicomponent system are shown to be described by dissipative Gross-Pitaevskii equations self-consistently coupled to corresponding quantum Boltzmann equations for the noncondensate atoms: On top of the usual mean-field contributions, our scheme identifies a total of eight distinct collisional processes, whose dynamical interplay is expected to be responsible for the system's equilibration. In order to provide their first characterization, we perform a detailed numerical analysis of the role of trap frequency and geometry on collisional rates for experimentally accessible mixtures of 87Rb-41K and 87Rb-85Rb , discussing the extent to which the system may approach the hydrodynamic regime with regard to some of those processes as a guide for future experimental investigations of ultracold Bose gas mixtures.

  3. Nonequilibrium volumetric response of shocked polymers

    SciTech Connect

    Clements, B E

    2009-01-01

    Polymers are well known for their non-equilibrium deviatoric behavior. However, investigations involving both high rate shock experiments and equilibrium measured thermodynamic quantities remind us that the volumetric behavior also exhibits a non-equilibrium response. Experiments supporting the notion of a non-equilibrium volumetric behavior will be summarized. Following that discussion, a continuum-level theory is proposed that will account for both the equilibrium and non-equilibrium response. Upon finding agreement with experiment, the theory is used to study the relaxation of a shocked polymer back towards its shocked equilibrium state.

  4. Detailed and simplified nonequilibrium helium ionization in the solar atmosphere

    SciTech Connect

    Golding, Thomas Peter; Carlsson, Mats; Leenaarts, Jorrit E-mail: mats.carlsson@astro.uio.no

    2014-03-20

    Helium ionization plays an important role in the energy balance of the upper chromosphere and transition region. Helium spectral lines are also often used as diagnostics of these regions. We carry out one-dimensional radiation-hydrodynamics simulations of the solar atmosphere and find that the helium ionization is set mostly by photoionization and direct collisional ionization, counteracted by radiative recombination cascades. By introducing an additional recombination rate mimicking the recombination cascades, we construct a simplified three-level helium model atom consisting of only the ground states. This model atom is suitable for modeling nonequilibrium helium ionization in three-dimensional numerical models. We perform a brief investigation of the formation of the He I 10830 and He II 304 spectral lines. Both lines show nonequilibrium features that are not recovered with statistical equilibrium models, and caution should therefore be exercised when such models are used as a basis for interpretating observations.

  5. Extending the definition of entropy to nonequilibrium steady states

    PubMed Central

    Ruelle, David P.

    2003-01-01

    We study the nonequilibrium statistical mechanics of a finite classical system subjected to nongradient forces ξ and maintained at fixed kinetic energy (Hoover–Evans isokinetic thermostat). We assume that the microscopic dynamics is sufficiently chaotic (Gallavotti–Cohen chaotic hypothesis) and that there is a natural nonequilibrium steady-state ρξ. When ξ is replaced by ξ + δξ, one can compute the change δρ of ρξ (linear response) and define an entropy change δS based on energy considerations. When ξ is varied around a loop, the total change of S need not vanish: Outside of equilibrium the entropy has curvature. However, at equilibrium (i.e., if ξ is a gradient) we show that the curvature is zero, and that the entropy S(ξ + δξ) near equilibrium is well defined to second order in δξ. PMID:12629215

  6. Extending the definition of entropy to nonequilibrium steady states.

    PubMed

    Ruelle, David P

    2003-03-18

    We study the nonequilibrium statistical mechanics of a finite classical system subjected to nongradient forces xi and maintained at fixed kinetic energy (Hoover-Evans isokinetic thermostat). We assume that the microscopic dynamics is sufficiently chaotic (Gallavotti-Cohen chaotic hypothesis) and that there is a natural nonequilibrium steady-state rho(xi). When xi is replaced by xi + deltaxi, one can compute the change deltarho of rho(xi) (linear response) and define an entropy change deltaS based on energy considerations. When xi is varied around a loop, the total change of S need not vanish: Outside of equilibrium the entropy has curvature. However, at equilibrium (i.e., if xi is a gradient) we show that the curvature is zero, and that the entropy S(xi + deltaxi) near equilibrium is well defined to second order in deltaxi.

  7. Statistically preferred basis of an open quantum system: its relation to the eigenbasis of a renormalized self-Hamiltonian.

    PubMed

    He, Lewei; Wang, Wen-Ge

    2014-02-01

    We study the problem of the basis of an open quantum system, under a quantum chaotic environment, which is preferred in view of its stationary reduced density matrix (RDM), that is, the basis in which the stationary RDM is diagonal. It is shown that, under an initial condition composed of sufficiently many energy eigenstates of the total system, such a basis is given by the eigenbasis of a renormalized self-Hamiltonian of the system, in the limit of large Hilbert space of the environment. Here, the renormalized self-Hamiltonian is given by the unperturbed self-Hamiltonian plus a certain average of the interaction Hamiltonian over the environmental degrees of freedom. Numerical simulations performed in two models, both with the kicked rotor as the environment, give results consistent with the above analytical predictions.

  8. Nozzle flow with vibrational nonequilibrium

    NASA Technical Reports Server (NTRS)

    Heinbockel, J. H.; Landry, J. G.

    1995-01-01

    This research concerns the modeling and numerical solutions of the coupled system of compressible Navier-Stokes equations in cylindrical coordinates under conditions of equilibrium and nonequilibrium thermodynamics. The problem considered was the modeling of a high temperature diatomic gas N2 flowing through a converging-diverging high expansion nozzle. The problem was modeled in two ways. The first model uses a single temperature with variable specific heats as functions of this temperature. For the second model we assume that the various degrees of freedom all have a Boltzmann distribution and that there is a continuous redistribution of energy among the various degrees of freedom as the gas passes through the nozzle. Each degree of freedom is assumed to have its own temperature and, consequently, each system state can be characterized by these temperatures. This suggests that formulation of a second model with a vibrational degree of freedom along with a rotational-translation degree of freedom, each degree of freedom having its own temperature. Initially the vibrational degree of freedom is excited by heating the gas to a high temperature. As the high temperature gas passes through the nozzle throat there is a sudden drop in temperature along with a relaxation time for the vibrational degree of freedom to achieve equilibrium with the rotational-translation degree of freedom. That is, we assume that the temperature change upon passing through the throat is so great that the changes in the vibrational degree of freedom occur at a much slower pace and consequently lags behind the rotational-translational energy changes. This lag results in a finite relaxation time. In this context the term nonequilibrium is used to denote the fact that the energy content of the various degrees of freedom are characterized by two temperatures. We neglect any chemical reactions which could also add nonequilibrium effects. We develop the energy equations for the nonequilibrium model

  9. Quantum mechanically based estimation of perturbed-chain polar statistical associating fluid theory parameters for analyzing their physical significance and predicting properties.

    PubMed

    Nhu, Nguyen Van; Singh, Mahendra; Leonhard, Kai

    2008-05-08

    We have computed molecular descriptors for sizes, shapes, charge distributions, and dispersion interactions for 67 compounds using quantum chemical ab initio and density functional theory methods. For the same compounds, we have fitted the three perturbed-chain polar statistical associating fluid theory (PCP-SAFT) equation of state (EOS) parameters to experimental data and have performed a statistical analysis for relations between the descriptors and the EOS parameters. On this basis, an analysis of the physical significance of the parameters, the limits of the present descriptors, and the PCP-SAFT EOS has been performed. The result is a method that can be used to estimate the vapor pressure curve including the normal boiling point, the liquid volume, the enthalpy of vaporization, the critical data, mixture properties, and so on. When only two of the three parameters are predicted and one is adjusted to experimental normal boiling point data, excellent predictions of all investigated pure compound and mixture properties are obtained. We are convinced that the methodology presented in this work will lead to new EOS applications as well as improved EOS models whose predictive performance is likely to surpass that of most present quantum chemically based, quantitative structure-property relationship, and group contribution methods for a broad range of chemical substances.

  10. Non-equilibrium thermodynamics of harmonically trapped bosons

    NASA Astrophysics Data System (ADS)

    Ángel García-March, Miguel; Fogarty, Thomás; Campbell, Steve; Busch, Thomas; Paternostro, Mauro

    2016-10-01

    We apply the framework of non-equilibrium quantum thermodynamics to the physics of quenched small-sized bosonic quantum gases in a one-dimensional harmonic trap. We show that dynamical orthogonality can occur in these few-body systems with strong interactions after a quench and we find its occurrence analytically for an infinitely repulsive pair of atoms. We further show this phenomena is related to the fundamental excitations that dictate the dynamics from the spectral function. We establish a clear qualitative link between the amount of (irreversible) work performed on the system and the establishment of entanglement. We extend our analysis to multipartite systems by examining the case of three trapped atoms. We show the initial (pre-quench) interactions play a vital role in determining the dynamical features, while the qualitative features of the two particle case appear to remain valid. Finally, we propose the use of the atomic density profile as a readily accessible indicator of the non-equilibrium properties of the systems in question.

  11. Small fields: Nonequilibrium radiation dosimetry

    SciTech Connect

    Das, Indra J.; Ding, George X.; Ahnesjoe, Anders

    2008-01-15

    Advances in radiation treatment with beamlet-based intensity modulation, image-guided radiation therapy, and stereotactic radiosurgery (including specialized equipments like CyberKnife, Gamma Knife, tomotherapy, and high-resolution multileaf collimating systems) have resulted in the use of reduced treatment fields to a subcentimeter scale. Compared to the traditional radiotherapy with fields {>=}4x4 cm{sup 2}, this can result in significant uncertainty in the accuracy of clinical dosimetry. The dosimetry of small fields is challenging due to nonequilibrium conditions created as a consequence of the secondary electron track lengths and the source size projected through the collimating system that are comparable to the treatment field size. It is further complicated by the prolonged electron tracks in the presence of low-density inhomogeneities. Also, radiation detectors introduced into such fields usually perturb the level of disequilibrium. Hence, the dosimetric accuracy previously achieved for standard radiotherapy applications is at risk for both absolute and relative dose determination. This article summarizes the present knowledge and gives an insight into the future procedures to handle the nonequilibrium radiation dosimetry problems. It is anticipated that new miniature detectors with controlled perturbations and corrections will be available to meet the demand for accurate measurements. It is also expected that the Monte Carlo techniques will increasingly be used in assessing the accuracy, verification, and calculation of dose, and will aid perturbation calculations of detectors used in small and highly conformal radiation beams.

  12. Statistical properties of the localization measure in a finite-dimensional model of the quantum kicked rotator.

    PubMed

    Manos, Thanos; Robnik, Marko

    2015-04-01

    We study the quantum kicked rotator in the classically fully chaotic regime K=10 and for various values of the quantum parameter k using Izrailev's N-dimensional model for various N≤3000, which in the limit N→∞ tends to the exact quantized kicked rotator. By numerically calculating the eigenfunctions in the basis of the angular momentum we find that the localization length L for fixed parameter values has a certain distribution; in fact, its inverse is Gaussian distributed, in analogy and in connection with the distribution of finite time Lyapunov exponents of Hamilton systems. However, unlike the case of the finite time Lyapunov exponents, this distribution is found to be independent of N and thus survives the limit N=∞. This is different from the tight-binding model of Anderson localization. The reason is that the finite bandwidth approximation of the underlying Hamilton dynamical system in the Shepelyansky picture [Phys. Rev. Lett. 56, 677 (1986)] does not apply rigorously. This observation explains the strong fluctuations in the scaling laws of the kicked rotator, such as the entropy localization measure as a function of the scaling parameter Λ=L/N, where L is the theoretical value of the localization length in the semiclassical approximation. These results call for a more refined theory of the localization length in the quantum kicked rotator and in similar Floquet systems, where we must predict not only the mean value of the inverse of the localization length L but also its (Gaussian) distribution, in particular the variance. In order to complete our studies we numerically analyze the related behavior of finite time Lyapunov exponents in the standard map and of the 2×2 transfer matrix formalism. This paper extends our recent work [Phys. Rev. E 87, 062905 (2013)].

  13. Temporal relaxation of nonequilibrium in Y-Ba-Cu-O measured from transient photoimpedance response

    SciTech Connect

    Bluzer, N. )

    1991-11-01

    Nonequilibrium in Y-Ba-Cu-O thin films biased with a dc current is photoinduced by exposure to 300-fsec 2-eV laser pulses. The photoinduced nonequilibrium transients were measured in the superconducting, transition, and normal states occurring between 7 and 200 K. The photoabsorption produced temporal changes in the sample's impedance, which manifest themselves as transient voltage signals occurring across the samples during the nonequilibrium's relaxation process. At and above {ital T}{sub {ital c}}, the observed photoresponse is thermal. Below {ital T}{sub {ital c}}, a quantum response is obtained corresponding to changes in the Cooper-pair populations. In the zero-resistance superconducting state, a positive signal corresponds to quasiparticle generation and a negative signal corresponds to quasiparticle recombination.

  14. INTRODUCTION: Nonequilibrium Processes in Plasmas

    NASA Astrophysics Data System (ADS)

    Petrović, Zoran; Marić, Dragana; Malović, Gordana

    2009-07-01

    This book aims to give a cross section from a wide range of phenomena that, to different degrees, fall under the heading of non-equilibrium phenomenology. The selection is, of course, biased by the interests of the members of the scientific committee and of the FP6 Project 026328 IPB-CNP Reinforcing Experimental Centre for Non-equilibrium Studies with Application in Nano-technologies, Etching of Integrated Circuits and Environmental Research. Some of the papers included here are texts based on selected lectures presented at the Second International Workshop on Non-equilibrium Processes in Plasmas and Environmental Science. However, this volume is not just the proceedings of that conference as it contains a number of papers from authors that did not attend the conference. The goal was to put together a volume that would cover the interests of the project and support further work. It is published in the Institute of Physics journal Journal of Physics: Conference Series to ensure a wide accessibility of the articles. The texts presented here range from in-depth reviews of the current status and past achievements to progress reports of currently developed experimental devices and recently obtained still unpublished results. All papers have been refereed twice, first when speakers were selected based on their reputation and recently published results, and second after the paper was submitted both by the editorial board and individual assigned referees according to the standards of the conference and of the journal. Nevertheless, we still leave the responsibility (and honours) for the contents of the papers to the authors. The papers in this book are review articles that give a summary of the already published work or present the work in progress that will be published in full at a later date (or both). In the introduction to the first volume, in order to show how far reaching, ubiquitous and important non-equilibrium phenomena are, we claimed that ever since the early

  15. Nonequilibrium statistical mechanics in one-dimensional bose gases

    NASA Astrophysics Data System (ADS)

    Baldovin, F.; Cappellaro, A.; Orlandini, E.; Salasnich, L.

    2016-06-01

    We study cold dilute gases made of bosonic atoms, showing that in the mean-field one-dimensional regime they support stable out-of-equilibrium states. Starting from the 3D Boltzmann-Vlasov equation with contact interaction, we derive an effective 1D Landau-Vlasov equation under the condition of a strong transverse harmonic confinement. We investigate the existence of out-of-equilibrium states, obtaining stability criteria similar to those of classical plasmas.

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

    PubMed

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

    2017-04-28

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

  17. Nanowire terahertz quantum cascade lasers

    SciTech Connect

    Grange, Thomas

    2014-10-06

    Quantum cascade lasers made of nanowire axial heterostructures are proposed. The dissipative quantum dynamics of their carriers is theoretically investigated using non-equilibrium Green functions. Their transport and gain properties are calculated for varying nanowire thickness, from the classical-wire regime to the quantum-wire regime. Our calculation shows that the lateral quantum confinement provided by the nanowires allows an increase of the maximum operation temperature and a strong reduction of the current density threshold compared to conventional terahertz quantum cascade lasers.

  18. General nonequilibrium theory of colloid dynamics.

    PubMed

    Ramírez-González, Pedro; Medina-Noyola, Magdaleno

    2010-12-01

    A nonequilibrium extension of Onsager's canonical theory of thermal fluctuations is employed to derive a self-consistent theory for the description of the statistical properties of the instantaneous local concentration profile n(r,t) of a colloidal liquid in terms of the coupled time-evolution equations of its mean value n(r,t) and of the covariance [Formula in text] of its fluctuations δn(r,t)=n(r,t)-n(r,t). These two coarse-grained equations involve a local mobility function b(r,t) which, in its turn, is written in terms of the memory function of the two-time correlation function [Formula in text]. For given effective interactions between colloidal particles and applied external fields, the resulting self-consistent theory is aimed at describing the evolution of a strongly correlated colloidal liquid from an initial state with arbitrary mean and covariance n(0)(r) and σ(0)(r,r') toward its equilibrium state characterized by the equilibrium local concentration profile n(eq)(r) and equilibrium covariance σ(eq)(r,r'). This theory also provides a general theoretical framework to describe irreversible processes associated with dynamic arrest transitions, such as aging, and the effects of spatial heterogeneities.

  19. Some problems of the theory of quantum statistical systems with an energy spectrum of the fractional-power type

    NASA Astrophysics Data System (ADS)

    Alisultanov, Z. Z.; Meilanov, R. P.

    2012-10-01

    We consider the problem of the effective interaction potential in a quantum many-particle system leading to the fractional-power dispersion law. We show that passing to fractional-order derivatives is equivalent to introducing a pair interparticle potential. We consider the case of a degenerate electron gas. Using the van der Waals equation, we study the equation of state for systems with a fractional-power spectrum. We obtain a relation between the van der Waals constant and the phenomenological parameter α, the fractional-derivative order. We obtain a relation between energy, pressure, and volume for such systems: the coefficient of the thermal energy is a simple function of α. We consider Bose—Einstein condensation in a system with a fractional-power spectrum. The critical condensation temperature for 1 < α < 2 is greater in the case under consideration than in the case of an ideal system, where α = 2.

  20. Local non-equilibrium thermodynamics

    PubMed Central

    Jinwoo, Lee; Tanaka, Hajime

    2015-01-01

    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. PMID:25592077

  1. Nonequilibrium interfaces in colloidal fluids

    NASA Astrophysics Data System (ADS)

    Bier, Markus; Arnold, Daniel

    2013-12-01

    The time-dependent structure, interfacial tension, and evaporation of an oversaturated colloid-rich (liquid) phase in contact with an undersaturated colloid-poor (vapor) phase of a colloidal dispersion is investigated theoretically during the early-stage relaxation, where the interface is relaxing towards a local equilibrium state while the bulk phases are still out of equilibrium. Since systems of this type exhibit a clear separation of colloidal and solvent relaxation time scales with typical times of interfacial tension measurements in between, they can be expected to be suitable for analogous experimental studies, too. The major finding is that, irrespective of how much the bulk phases differ from two-phase coexistence, the interfacial structure and the interfacial tension approach those at two-phase coexistence during the early-stage relaxation process. This is a surprising observation since it implies that the relaxation towards global equilibrium of the interface is not following but preceding that of the bulk phases. Scaling forms for the local chemical potential, the flux, and the dissipation rate exhibit qualitatively different leading order contributions depending on whether an equilibrium or a nonequilibrium system is considered. The degree of nonquilibrium between the bulk phases is found to not influence the qualitative relaxation behavior (i.e., the values of power-law exponents), but to determine the quantitative deviation of the observed quantities from their values at two-phase coexistence. Whereas the underlying dynamics differs between colloidal and molecular fluids, the behavior of quantities such as the interfacial tension approaching the equilibrium values during the early-stage relaxation process, during which nonequilibrium conditions of the bulk phases are not changed, can be expected to occur for both types of systems.

  2. Quasiclassical trajectory and statistical quantum calculations for the C + OH → CO + H reaction on the first excited 1(2)A″ potential energy surface.

    PubMed

    Jorfi, M; González-Lezana, T; Zanchet, A; Honvault, P; Bussery-Honvault, B

    2013-03-07

    We report quasiclassical trajectory dynamical calculations for the C((3)P) + OH(X(2)Π) → CO(a(3)Π) + H((2)S) using a recently developed ab initio potential energy surface for the first electronic state of HCO of 1(2)A″ symmetry. The dependence of integral cross sections on the collision energy was determined. Product energy and angular distributions have also been calculated. Integral cross sections show no energy threshold and decrease as the collision energy increases. The comparison with results obtained from a statistical quantum method seems to confirm that the reaction is mainly dominated by an indirect mechanism in which a long-lived intermediate complex is involved.

  3. Indications of a possible symmetry and its breaking in a many-agent model obeying quantum statistics

    NASA Astrophysics Data System (ADS)

    Ezhov, Alexandr A.; Khrennikov, Andrei Yu.; Terentyeva, Svetlana S.

    2008-03-01

    The results of computer simulations are presented which give evidence for the existence of an interesting symmetry in a many-agent model which demonstrates, in special cases, both Bose-Einstein and Fermi-Dirac statistics. This symmetry is expressed in the close vicinity of the mean values of the degree of ultrametricity and the fraction of isosceles of the sets of agent memories (histories) coded by two different information-loss coding schemes. It is shown that this (in some sense) approximate statistical supersymmetry is probably broken at low temperatures—below some condensation limit. This breaking leads to the appearance of specific coding schemes for boson and fermion histories. The meaning of this specificity is revealed by applying the interpretation of the many-agent model described earlier [A. A. Ezhov and A. Yu. Khrennikov, Phys. Rev. E 71, 016138 (2005)].

  4. E(K, L) level statistics of classically integrable quantum systems based on the Berry-Robnik approach

    NASA Astrophysics Data System (ADS)

    Makino, Hironori; Minami, Nariyuki

    2014-07-01

    The theory of the quantal level statistics of a classically integrable system, developed by Makino et al. in order to investigate the non-Poissonian behaviors of level-spacing distribution (LSD) and level-number variance (LNV) [H. Makino and S. Tasaki, Phys. Rev. E 67, 066205 (2003); H. Makino and S. Tasaki, Prog. Theor. Phys. Suppl. 150, 376 (2003); H. Makino, N. Minami, and S. Tasaki, Phys. Rev. E 79, 036201 (2009); H. Makino and S. Tasaki, Prog. Theor. Phys. 114, 929 (2005)], is successfully extended to the study of the E(K,L) function, which constitutes a fundamental measure to determine most statistical observables of quantal levels in addition to LSD and LNV. In the theory of Makino et al., the eigenenergy level is regarded as a superposition of infinitely many components whose formation is supported by the Berry-Robnik approach in the far semiclassical limit [M. Robnik, Nonlinear Phenom. Complex Syst. 1, 1 (1998)]. We derive the limiting E(K,L) function in the limit of infinitely many components and elucidate its properties when energy levels show deviations from the Poisson statistics.

  5. Level-resolved quantum statistical theory of electron capture into many-electron compound resonances in highly charged ions

    NASA Astrophysics Data System (ADS)

    Berengut, J. C.; Harabati, C.; Dzuba, V. A.; Flambaum, V. V.; Gribakin, G. F.

    2015-12-01

    The strong mixing of many-electron basis states in excited atoms and ions with open f shells results in very large numbers of complex, chaotic eigenstates that cannot be computed to any degree of accuracy. Describing the processes which involve such states requires the use of a statistical theory. Electron capture into these "compound resonances" leads to electron-ion recombination rates that are orders of magnitude greater than those of direct, radiative recombination and cannot be described by standard theories of dielectronic recombination. Previous statistical theories considered this as a two-electron capture process which populates a pair of single-particle orbitals, followed by "spreading" of the two-electron states into chaotically mixed eigenstates. This method is similar to a configuration-average approach because it neglects potentially important effects of spectator electrons and conservation of total angular momentum. In this work we develop a statistical theory which considers electron capture into "doorway" states with definite angular momentum obtained by the configuration interaction method. We apply this approach to electron recombination with W20 +, considering 2 ×106 doorway states. Despite strong effects from the spectator electrons, we find that the results of the earlier theories largely hold. Finally, we extract the fluorescence yield (the probability of photoemission and hence recombination) by comparison with experiment.

  6. On Nonequilibrium Radiation in Hydrogen Shock Layers

    NASA Technical Reports Server (NTRS)

    Park, Chul

    2005-01-01

    The influence of thermochemical nonequilibrium in the shock layer over a vehicle entering the atmosphere of an outer planet is examined qualitatively. The state of understanding of the heating environment for the Galileo Probe vehicle is first reviewed. Next, the possible reasons for the high recession in the frustum region and the low recession in the stagnation region are examined. The state of understanding of the nonequilibrium in the hydrogen flow is then examined. For the entry flight in Neptune, the possible influence of nonequilibrium is predicted.

  7. Broadening of a nonequilibrium phase transition by extended structural defects.

    PubMed

    Vojta, Thomas

    2004-08-01

    We study the effects of quenched extended impurities on nonequilibrium phase transitions in the directed percolation universality class. We show that these impurities have a dramatic effect: they completely destroy the sharp phase transition by smearing. This is caused by rare strongly coupled spatial regions which can undergo the phase transition independently from the bulk system. We use extremal statistics to determine the stationary state as well as the dynamics in the tail of the smeared transition, and we illustrate the results by computer simulations.

  8. The non-equilibrium nature of culinary evolution

    NASA Astrophysics Data System (ADS)

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

    2008-07-01

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

  9. Dannie Heineman Prize for Mathematical Physics Lecture: Understanding Nonequilibrium via Rare Fluctuations

    NASA Astrophysics Data System (ADS)

    Jona-Lasinio, Giovanni

    2012-02-01

    Irreversible processes are a hot subject in statistical mechanics. During the last decade through the effort of several people, including the recipient of the prize and his collaborators, a progress in understanding stationary nonequilibrium states has been achieved. The key has been the study of rare fluctuations. The talk will review some basic ideas, results and perspectives.

  10. Nonequilibrium dynamics of the Bose-Hubbard model: a projection-operator approach.

    PubMed

    Trefzger, C; Sengupta, K

    2011-03-04

    We study the phase diagram and nonequilibrium dynamics involving ramp of the hopping amplitude J(t)=Jt/τ with ramp time τ of the Bose-Hubbard model at zero temperature using a projection-operator formalism which allows us to incorporate the effects of quantum fluctuations beyond mean-field approximations in the strong-coupling regime. Our formalism yields a phase diagram which provides a near exact match with quantum Monte Carlo results in three dimensions. We also compute the residual energy Q, the superfluid order parameter Δ(t), the equal-time order parameter correlation function C(t), and the wave function overlap F which yields the defect formation probability P during nonequilibrium dynamics of the model. We find that Q, F, and P do not exhibit the expected universal scaling. We explain this absence of universality and show that our results compare well with recent experiments.

  11. Nonequilibrium molecular dynamics: The first 25 years

    SciTech Connect

    Hoover, W.G. |

    1992-08-01

    Equilibrium Molecular Dynamics has been generalized to simulate Nonequilibrium systems by adding sources of thermodynamic heat and work. This generalization incorporates microscopic mechanical definitions of macroscopic thermodynamic and hydrodynamic variables, such as temperature and stress, and augments atomistic forces with special boundary, constraint, and driving forces capable of doing work on, and exchanging heat with, an otherwise Newtonian system. The underlying Lyapunov instability of these nonequilibrium equations of motion links microscopic time-reversible deterministic trajectories to macroscopic time-irreversible hydrodynamic behavior as described by the Second Law of Thermodynamics. Green-Kubo linear-response theory has been checked. Nonlinear plastic deformation, intense heat conduction, shockwave propagation, and nonequilibrium phase transformation have all been simulated. The nonequilibrium techniques, coupled with qualitative improvements in parallel computer hardware, are enabling simulations to approximate real-world microscale and nanoscale experiments.

  12. Network inference in the nonequilibrium steady state

    NASA Astrophysics Data System (ADS)

    Dettmer, Simon L.; Nguyen, H. Chau; Berg, Johannes

    2016-11-01

    Nonequilibrium systems lack an explicit characterization of their steady state like the Boltzmann distribution for equilibrium systems. This has drastic consequences for the inference of the parameters of a model when its dynamics lacks detailed balance. Such nonequilibrium systems occur naturally in applications like neural networks and gene regulatory networks. Here, we focus on the paradigmatic asymmetric Ising model and show that we can learn its parameters from independent samples of the nonequilibrium steady state. We present both an exact inference algorithm and a computationally more efficient, approximate algorithm for weak interactions based on a systematic expansion around mean-field theory. Obtaining expressions for magnetizations and two- and three-point spin correlations, we establish that these observables are sufficient to infer the model parameters. Further, we discuss the symmetries characterizing the different orders of the expansion around the mean field and show how different types of dynamics can be distinguished on the basis of samples from the nonequilibrium steady state.

  13. Molecular weight distributions of irradiated siloxane-based elastomers: A complementary study by statistical modeling and multiple quantum nuclear magnetic resonance

    SciTech Connect

    Dinh, L. N.; Mayer, B. P.; Maiti, A.; Chinn, S. C.; Maxwell, R. S.

    2011-05-01

    The statistical methodology of population balance (PB) has been applied in order to predict the effects of cross-linking and chain-scissioning induced by ionizing radiation on the distribution of molecular weight between cross-links (MWBC) of a siloxane-based elastomer. Effective molecular weight distributions were extracted from the quantification of residual dipolar couplings via multiple quantum nuclear magnetic resonance (MQ-NMR) measurements and are taken to reflect actual MWBC distributions. The PB methodology is then applied to the unirradiated MWBC distribution and considers both chain-scissioning and the possibility of the formation of three types of cross-links: random recombination of scissioned-chain ends (end-linking), random covalent bonds of free radicals on scissioned-chain ends (Y-cross-linking), and the formation of random cross-links from free radicals on side groups (H-cross-linking). The qualitative agreement between the statistical modeling approach and the NMR data confirms that it is possible to predict trends for the evolution of the distribution of MWBC of polymers under irradiation. The approach described herein can also discern heterogeneities in radiation effects in different structural motifs in the polymer network.

  14. Exploring quantum phases by driven dissipation

    NASA Astrophysics Data System (ADS)

    Lang, Nicolai; Büchler, Hans Peter

    2015-07-01

    Dephasing and decay are the intrinsic dissipative processes prevalent in any open quantum system and the dominant mechanisms for the loss of coherence and entanglement. This inadvertent effect not only can be overcome but can even be capitalized on in a dissipative quantum simulation by means of tailored couplings between the quantum system and the environment. In this context it has been demonstrated that universal quantum computation can be performed using purely dissipative elements, and furthermore, the efficient preparation of highly entangled states is possible. In this article, we are interested in nonequilibrium phase transitions appearing in purely dissipative systems and the exploration of quantum phases in terms of a dissipative quantum simulation. To elucidate these concepts, we scrutinize exemplarily two paradigmatic models: the transverse-field Ising model and the considerably more complex Z2 lattice gauge theory. We show that the nonequilibrium phase diagrams parallel the quantum phase diagrams of the Hamiltonian "blueprint" theories.

  15. The dynamics of the H(+) + D(2) reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results.

    PubMed

    Jambrina, P G; Aoiz, F J; Bulut, N; Smith, Sean C; Balint-Kurti, G G; Hankel, M

    2010-02-07

    A detailed study of the proton exchange reaction H(+) + D(2)(v = 0, j = 0) --> HD + D(+) on its ground 1(1)A' potential energy surface has been carried out using 'exact' close-coupled quantum mechanical wavepacket (WP-EQM), quasi-classical trajectory (QCT), and statistical quasi-classical trajectory (SQCT) calculations for a range of collision energies starting from the reaction threshold to 1.3 eV. The WP-EQM calculations include all total angular momenta up to J(max) = 50, and therefore the various dynamical observables are converged up to 0.6 eV. It has been found that it is necessary to include all Coriolis couplings to obtain reliable converged results. Reaction probabilities obtained using the different methods are thoroughly compared as a function of the total energy for a series of J values. Comparisons are also made of total reaction cross sections as function of the collision energy, and rate constants. In addition, opacity functions, integral cross sections (ICS) and differential cross sections (DCS) are presented at 102 meV, 201.3 meV and 524.6 meV collision energy. The agreement between the three sets of results is only qualitative. The QCT calculations fail to describe the overall reactivity and most of the dynamical observables correctly. At low collision energies, the QCT method is plagued by the lack of conservation of zero point energy, whilst at higher collision energies and/or total angular momenta, the appearance of an effective repulsive potential associated with the centrifugal motion "over" the well causes a substantial decrease of the reactivity. In turn, the statistical models overestimate the reactivity over the whole range of collision energies as compared with the WP-EQM method. Specifically, at sufficiently high collision energies the reaction cannot be deemed to be statistical and important dynamical effects seem to be present. In general the WP-EQM results lie in between those obtained using the QCT and SQCT methods. One of the main

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

    PubMed

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

    2015-02-01

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

  17. Chirality, causality, and fluctuation-dissipation theorems in nonequilibrium steady states.

    PubMed

    Wang, Chenjie; Feldman, D E

    2013-01-18

    Edges of some quantum Hall liquids and a number of other systems exhibit chiral transport: excitations can propagate in one direction only, e.g., clockwise. We derive a family of fluctuation-dissipation relations in nonequilibrium steady states of such chiral systems. The theorems connect nonlinear response with fluctuations far from thermal equilibrium and hold only in case of chiral transport. They can be used to test the chiral or nonchiral character of the system.

  18. Aerospace Applications of Non-Equilibrium Plasma

    NASA Technical Reports Server (NTRS)

    Blankson, Isaiah M.

    2016-01-01

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

  19. Effects of Molecular Dynamics Thermostats on Descriptions of Chemical Nonequilibrium.

    PubMed

    Page, Alister J; Isomoto, Tetsushi; Knaup, Jan M; Irle, Stephan; Morokuma, Keiji

    2012-11-13

    The performance of popular molecular dynamics (MD) thermostat algorithms in constant temperature simulations of equilibrium systems is well-known. This is not the case, however, in the context of nonequilibrium chemical systems, such as chemical reactions or nanoscale self-assembly processes. In this work, we investigate the effect of popular thermostat algorithms on the "natural" (i.e., Hamiltonian) dynamics of a nonequilibrium, chemically reacting system. By comparing constant-temperature quantum mechanical MD (QM/MD) simulations of carbon vapor condensation using velocity scaling, Berendsen, Andersen, Langevin, and Nosé-Hoover chain thermostat algorithms with natural NVE simulations, we show that efficient temperature control and reliable reaction dynamics are mutually exclusive in such a system. This problem may be circumvented, however, by placing the reactive system in an inert He atmosphere, which is itself described using NVT MD. We demonstrate that both realistic temperature control and dynamics consistent with natural NVE dynamics can then be obtained simultaneously. In essence, the thermal energy created by the natural dynamics of the NVE subsystem is drained by the thermostat acting on the NVT atmosphere, without adversely affecting the dynamics of the reactive system itself.

  20. RANDOMNESS of Numbers DEFINITION(QUERY:WHAT? V HOW?) ONLY Via MAXWELL-BOLTZMANN CLASSICAL-Statistics(MBCS) Hot-Plasma VS. Digits-Clumping Log-Law NON-Randomness Inversion ONLY BOSE-EINSTEIN QUANTUM-Statistics(BEQS) .

    NASA Astrophysics Data System (ADS)

    Siegel, Z.; Siegel, Edward Carl-Ludwig

    2011-03-01

    RANDOMNESS of Numbers cognitive-semantics DEFINITION VIA Cognition QUERY: WHAT???, NOT HOW?) VS. computer-``science" mindLESS number-crunching (Harrel-Sipser-...) algorithmics Goldreich "PSEUDO-randomness"[Not.AMS(02)] mea-culpa is ONLY via MAXWELL-BOLTZMANN CLASSICAL-STATISTICS(NOT FDQS!!!) "hot-plasma" REPULSION VERSUS Newcomb(1881)-Weyl(1914;1916)-Benford(1938) "NeWBe" logarithmic-law digit-CLUMPING/ CLUSTERING NON-Randomness simple Siegel[AMS Joint.Mtg.(02)-Abs. # 973-60-124] algebraic-inversion to THE QUANTUM and ONLY BEQS preferentially SEQUENTIALLY lower-DIGITS CLUMPING/CLUSTERING with d = 0 BEC, is ONLY VIA Siegel-Baez FUZZYICS=CATEGORYICS (SON OF TRIZ)/"Category-Semantics"(C-S), latter intersection/union of Lawvere(1964)-Siegel(1964)] category-theory (matrix: MORPHISMS V FUNCTORS) "+" cognitive-semantics'' (matrix: ANTONYMS V SYNONYMS) yields Siegel-Baez FUZZYICS=CATEGORYICS/C-S tabular list-format matrix truth-table analytics: MBCS RANDOMNESS TRUTH/EMET!!!

  1. An Information Theory Approach to Nonlinear, Nonequilibrium Thermodynamics

    PubMed Central

    Rogers, David M.; Beck, Thomas L.

    2012-01-01

    Using the problem of ion channel thermodynamics as an example, we illustrate the idea of building up complex thermodynamic models by successively adding physical information. We present a new formulation of information algebra that generalizes methods of both information theory and statistical mechanics. From this foundation we derive a theory for ion channel kinetics, identifying a nonequilibrium ‘process’ free energy functional in addition to the well-known integrated work functionals. The Gibbs-Maxwell relation for the free energy functional is a Green-Kubo relation, applicable arbitrarily far from equilibrium, that captures the effect of non-local and time-dependent behavior from transient thermal and mechanical driving forces. Comparing the physical significance of the Lagrange multipliers to the canonical ensemble suggests definitions of nonequilibrium ensembles at constant capacitance or inductance in addition to constant resistance. Our result is that statistical mechanical descriptions derived from a few primitive algebraic operations on information can be used to create experimentally-relevant and computable models. By construction, these models may use information from more detailed atomistic simulations. Two surprising consequences to be explored in further work are that (in)distinguishability factors are automatically predicted from the problem formulation and that a direct analogue of the second law for thermodynamic entropy production is found by considering information loss in stochastic processes. The information loss identifies a novel contribution from the instantaneous information entropy that ensures non-negative loss. PMID:22966210

  2. An Information Theory Approach to Nonlinear, Nonequilibrium Thermodynamics.

    PubMed

    Rogers, David M; Beck, Thomas L; Rempe, Susan B

    2011-10-01

    Using the problem of ion channel thermodynamics as an example, we illustrate the idea of building up complex thermodynamic models by successively adding physical information. We present a new formulation of information algebra that generalizes methods of both information theory and statistical mechanics. From this foundation we derive a theory for ion channel kinetics, identifying a nonequilibrium 'process' free energy functional in addition to the well-known integrated work functionals. The Gibbs-Maxwell relation for the free energy functional is a Green-Kubo relation, applicable arbitrarily far from equilibrium, that captures the effect of non-local and time-dependent behavior from transient thermal and mechanical driving forces. Comparing the physical significance of the Lagrange multipliers to the canonical ensemble suggests definitions of nonequilibrium ensembles at constant capacitance or inductance in addition to constant resistance. Our result is that statistical mechanical descriptions derived from a few primitive algebraic operations on information can be used to create experimentally-relevant and computable models. By construction, these models may use information from more detailed atomistic simulations. Two surprising consequences to be explored in further work are that (in)distinguishability factors are automatically predicted from the problem formulation and that a direct analogue of the second law for thermodynamic entropy production is found by considering information loss in stochastic processes. The information loss identifies a novel contribution from the instantaneous information entropy that ensures non-negative loss.

  3. Nonequilibrium fluctuations as a distinctive feature of weak localization

    PubMed Central

    Barone, C.; Romeo, F.; Pagano, S.; Attanasio, C.; Carapella, G.; Cirillo, C.; Galdi, A.; Grimaldi, G.; Guarino, A.; Leo, A.; Nigro, A.; Sabatino, P.

    2015-01-01

    Two-dimensional materials, such as graphene, topological insulators, and two-dimensional electron gases, represent a technological playground to develop coherent electronics. In these systems, quantum interference effects, and in particular weak localization, are likely to occur. These coherence effects are usually characterized by well-defined features in dc electrical transport, such as a resistivity increase and negative magnetoresistance below a crossover temperature. Recently, it has been shown that in magnetic and superconducting compounds, undergoing a weak-localization transition, a specific low-frequency 1/f noise occurs. An interpretation in terms of nonequilibrium universal conductance fluctuations has been given. The universality of this unusual electric noise mechanism has been here verified by detailed voltage-spectral density investigations on ultrathin copper films. The reported experimental results validate the proposed theoretical framework, and also provide an alternative methodology to detect weak-localization effects by using electric noise spectroscopy. PMID:26024506

  4. Pulsed laser photolysis and quantum chemical-statistical rate study of the reaction of the ethynyl radical with water vapor

    NASA Astrophysics Data System (ADS)

    Carl, Shaun A.; Minh Thi Nguyen, Hue; Elsamra, Rehab M. I.; Tho Nguyen, Minh; Peeters, Jozef

    2005-03-01

    The rate coefficient of the gas-phase reaction C2H+H2O→products has been experimentally determined over the temperature range 500-825K using a pulsed laser photolysis-chemiluminescence (PLP-CL) technique. Ethynyl radicals (C2H) were generated by pulsed 193nm photolysis of C2H2 in the presence of H2O vapor and buffer gas N2 at 15Torr. The relative concentration of C2H radicals was monitored as a function of time using a CH * chemiluminescence method. The rate constant determinations for C2H+H2O were k1(550K)=(2.3±1.3)×10-13cm3s-1, k1(770cm3s-1, and k1(825cm3s-1. The error in the only other measurement of this rate constant is also discussed. We have also characterized the reaction theoretically using quantum chemical computations. The relevant portion of the potential energy surface of C2H3O in its doublet electronic ground state has been investigated using density functional theory B3LYP /6-311++G(3df,2p) and molecular orbital computations at the unrestricted coupled-cluster level of theory that incorporates all single and double excitations plus perturbative corrections for the triple excitations, along with the 6-311++G(3df,2p) basis set [(U)CCSD(T)/6-311++G(3df,2p)] and using UCCSD(T )/6-31G(d,p) optimized geometries. Five isomers, six dissociation products, and sixteen transition structures were characterized. The results confirm that the hydrogen abstraction producing C2H2+OH is the most facile reaction channel. For this channel, refined computations using (U)CCSD(T)/6-311++G(3df,2p)//(U)CCSD(T)/6-311++G(d,p) and complete-active-space second-order perturbation theory/complete-active-space self-consistent-field theory (CASPT2/CASSCF) [B. O. Roos, Adv. Chem. Phys. 69, 399 (1987)] using the contracted atomic natural orbitals basis set (ANO-L) [J. Almlöf and P. R. Taylor, J. Chem. Phys.86, 4070 (1987)] were performed, yielding zero-point energy-corrected potential energy barriers of 17kJmol-1 and 15kJmol-1, respectively. Transition-state theory rate constant

  5. Non-equilibrium Helium Ionization in an MHD Simulation of the Solar Atmosphere

    NASA Astrophysics Data System (ADS)

    Golding, Thomas Peter; Leenaarts, Jorrit; Carlsson, Mats

    2016-02-01

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

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

    NASA Astrophysics Data System (ADS)

    Kawai, Soshi; Larsson, Johan

    2013-01-01

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

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

    SciTech Connect

    Golding, Thomas Peter; Carlsson, Mats; Leenaarts, Jorrit E-mail: mats.carlsson@astro.uio.no

    2016-02-01

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

  8. The Statistical Basis of Chemical Equilibria.

    ERIC Educational Resources Information Center

    Hauptmann, Siegfried; Menger, Eva

    1978-01-01

    Describes a machine which demonstrates the statistical bases of chemical equilibrium, and in doing so conveys insight into the connections among statistical mechanics, quantum mechanics, Maxwell Boltzmann statistics, statistical thermodynamics, and transition state theory. (GA)

  9. Electron Broadening of Isolated Lines with Stationary Non-Equilibrium Level Populations

    SciTech Connect

    Iglesias, C A

    2005-01-12

    It is shown that a quantum kinetic theory approach to line broadening, extended to stationary non-equilibrium states, yields corrections to the standard electron impact widths of isolated lines that depend on the population of the radiator internal levels. A consistent classical limit from a general quantum treatment of the perturbing electrons also introduces corrections to the isolated line widths. Both effects are essential in preserving detailed-balance relations. Preliminary analysis indicates that these corrections may resolve existing discrepancies between theoretical and experimental widths of isolated lines. An experimental test of the results is proposed.

  10. Keldysh field theory for driven open quantum systems.

    PubMed

    Sieberer, L M; Buchhold, M; Diehl, S

    2016-09-01

    Recent experimental developments in diverse areas-ranging from cold atomic gases to light-driven semiconductors to microcavity arrays-move systems into the focus which are located on the interface of quantum optics, many-body physics and statistical mechanics. They share in common that coherent and driven-dissipative quantum dynamics occur on an equal footing, creating genuine non-equilibrium scenarios without immediate counterpart in equilibrium condensed matter physics. This concerns both their non-thermal stationary states and their many-body time evolution. It is a challenge to theory to identify novel instances of universal emergent macroscopic phenomena, which are tied unambiguously and in an observable way to the microscopic drive conditions. In this review, we discuss some recent results in this direction. Moreover, we provide a systematic introduction to the open system Keldysh functional integral approach, which is the proper technical tool to accomplish a merger of quantum optics and many-body physics, and leverages the power of modern quantum field theory to driven open quantum systems.

  11. Keldysh field theory for driven open quantum systems

    NASA Astrophysics Data System (ADS)

    Sieberer, L. M.; Buchhold, M.; Diehl, S.

    2016-09-01

    Recent experimental developments in diverse areas—ranging from cold atomic gases to light-driven semiconductors to microcavity arrays—move systems into the focus which are located on the interface of quantum optics, many-body physics and statistical mechanics. They share in common that coherent and driven-dissipative quantum dynamics occur on an equal footing, creating genuine non-equilibrium scenarios without immediate counterpart in equilibrium condensed matter physics. This concerns both their non-thermal stationary states and their many-body time evolution. It is a challenge to theory to identify novel instances of universal emergent macroscopic phenomena, which are tied unambiguously and in an observable way to the microscopic drive conditions. In this review, we discuss some recent results in this direction. Moreover, we provide a systematic introduction to the open system Keldysh functional integral approach, which is the proper technical tool to accomplish a merger of quantum optics and many-body physics, and leverages the power of modern quantum field theory to driven open quantum systems.

  12. Efficient free energy calculations of quantum systems through computer simulations

    NASA Astrophysics Data System (ADS)

    Antonelli, Alex; Ramirez, Rafael; Herrero, Carlos; Hernandez, Eduardo

    2009-03-01

    In general, the classical limit is assumed in computer simulation calculations of free energy. This approximation, however, is not justifiable for a class of systems in which quantum contributions for the free energy cannot be neglected. The inclusion of quantum effects is important for the determination of reliable phase diagrams of these systems. In this work, we present a new methodology to compute the free energy of many-body quantum systems [1]. This methodology results from the combination of the path integral formulation of statistical mechanics and efficient non-equilibrium methods to estimate free energy, namely, the adiabatic switching and reversible scaling methods. A quantum Einstein crystal is used as a model to show the accuracy and reliability the methodology. This new method is applied to the calculation of solid-liquid coexistence properties of neon. Our findings indicate that quantum contributions to properties such as, melting point, latent heat of fusion, entropy of fusion, and slope of melting line can be up to 10% of the calculated values using the classical approximation. [1] R. M. Ramirez, C. P. Herrero, A. Antonelli, and E. R. Hernández, Journal of Chemical Physics 129, 064110 (2008)

  13. Boosted Statistical Mechanics

    NASA Astrophysics Data System (ADS)

    Testa, Massimo

    2015-08-01

    Starting with the basic principles of Relativistic Quantum Mechanics, we give a rigorous, but completely elementary proof of the relation between fundamental observables of a statistical system, when measured within two inertial reference frames, related by a Lorentz transformation.

  14. Quantum complexity: Quantum mutual information, complex networks, and emergent phenomena in quantum cellular automata

    NASA Astrophysics Data System (ADS)

    Vargas, David L.

    Emerging quantum simulator technologies provide a new challenge to quantum many body theory. Quantifying the emergent order in and predicting the dynamics of such complex quantum systems requires a new approach. We develop such an approach based on complex network analysis of quantum mutual information. First, we establish the usefulness of quantum mutual information complex networks by reproducing the phase diagrams of transverse Ising and Bose-Hubbard models. By quantifying the complexity of quantum cellular automata we then demonstrate the applicability of complex network theory to non-equilibrium quantum dynamics. We conclude with a study of student collaboration networks, correlating a student's role in a collaboration network with their grades. This work thus initiates a quantitative theory of quantum complexity and provides a new tool for physics education research. (Abstract shortened by ProQuest.).

  15. Asymptotic work statistics of periodically driven Ising chains

    NASA Astrophysics Data System (ADS)

    Russomanno, Angelo; Sharma, Shraddha; Dutta, Amit; Santoro, Giuseppe E.

    2015-08-01

    We study the work statistics of a periodically-driven integrable closed quantum system, addressing in particular the role played by the presence of a quantum critical point. Taking the example of a one-dimensional transverse Ising model in the presence of a spatially homogeneous but periodically time-varying transverse field of frequency {ω0} , we arrive at the characteristic cumulant generating function G(u), which is then used to calculate the work distribution function P(W). By applying the Floquet theory we show that, in the infinite time limit, P(W) converges, starting from the initial ground state, towards an asymptotic steady state value whose small-W behaviour depends only on the properties of the small-wave-vector modes and on a few important ingredients: the time-averaged value of the transverse field, h0, the initial transverse field, {{h}\\text{i}} , and the equilibrium quantum critical point {{h}\\text{c}} , which we find to generate a sequence of non-equilibrium critical points {{h}*l}={{h}\\text{c}}+l{ω0}/2 , with l integer. When {{h}\\text{i}}\

  16. Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

    PubMed

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

  17. Equilibrium sampling by reweighting nonequilibrium simulation trajectories

    NASA Astrophysics Data System (ADS)

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

  18. Derivation of quantum work equalities using a quantum Feynman-Kac formula.

    PubMed

    Liu, Fei

    2012-07-01

    On the basis of a quantum mechanical analog of the famous Feynman-Kac formula, we present a method to derive nonequilibrium work equalities for isolated quantum systems, which include the Jarzynski equality and Bochkov-Kuzovlev equality. Compared with other methods in the literature, our method shows a higher similarity in form to the method deriving the fluctuation relations in the classical systems.

  19. Correlations and scaling properties of nonequilibrium fluctuations in liquid mixtures

    NASA Astrophysics Data System (ADS)

    Brogioli, Doriano; Croccolo, Fabrizio; Vailati, Alberto

    2016-08-01

    Diffusion in liquids is accompanied by nonequilibrium concentration fluctuations spanning all the length scales comprised between the microscopic scale a and the macroscopic size of the system, L . Up to now, theoretical and experimental investigations of nonequilibrium fluctuations have focused mostly on determining their mean-square amplitude as a function of the wave vector. In this work, we investigate the local properties of nonequilibrium fluctuations arising during a stationary diffusion process occurring in a binary liquid mixture in the presence of a uniform concentration gradient, ∇ c0 . We characterize the fluctuations by evaluating statistical features of the system, including the mean-square amplitude of fluctuations and the corrugation of the isoconcentration surfaces; we show that they depend on a single mesoscopic length scale l =√{a L } representing the geometric average between the microscopic and macroscopic length scales. We find that the amplitude of the fluctuations is very small in practical cases and vanishes when the macroscopic length scale increases. The isoconcentration surfaces, or fronts of diffusion, have a self-affine structure with corrugation exponent H =1 /2 . Ideally, the local fractal dimension of the fronts of diffusion would be Dl=d -H , where d is the dimensionality of the space, while the global fractal dimension would be Dg=d -1 . The transition between the local and global regimes occurs at a crossover length scale of the order of the microscopic length scale a . Therefore, notwithstanding the fact that the fronts of diffusion are corrugated, they appear flat at all the length scales probed by experiments, and they do not exhibit a fractal structure.

  20. Capturing H and H2 by SiH x + (x ≤ 4) ions: Comparison between Langevin and quantum statistical models

    NASA Astrophysics Data System (ADS)

    Nguyen, Trong-Nghia; Lee, Yun-Min; Wu, Jong-Shinn; Lin, Ming-Chang

    2017-02-01

    H, H2, and SiH x + (x ≤ 4) ions coexist under plasma-enhanced chemical vapor deposition (PECVD) conditions. We have studied the kinetics of their interactions by high-level quantum chemical and statistical theory calculations, and compared the results with classical Langevin values (˜2 × 10-9 cm3 molecule-1 s-1 independent of temperature). The results indicate that, for H capturing by SiH x + (x ≤ 4), both theories agree within a factor of 2-4, whereas for H2 capturing by SiH x + (x ≤ 3), the modern theory gives higher and weakly temperature-dependent values by up to more than one order of magnitude, attributable to reaction path degeneracies and increased entropies of activation. The heats of formation and structural parameters of SiH x + ions (x ≤ 5) in this work agree well with available experimental data. For practical applications, we have provided tables of rate constants for modeling various processes of relevance to the PECVD of a-Si:H films.

  1. A simple quantum statistical thermodynamics interpretation of an impressive phase diagram pressure shift upon (H/D) isotopic substitution in water + 3-methylpyridine.

    PubMed

    Visak, Zoran P; Szydlowski, Jerzy; Rebelo, Luís P N

    2006-01-26

    In a previous work (J. Phys. Chem. B 2003, 107, 9837), we reported liquid-liquid-phase splitting at negative pressures in mixtures of H2O + D2O + 3-methylpyridine (3-MP) at the limit of pure H2O as the solvent, thus extending for the first time the L-L phase diagrams to this metastable region. We showed that there is an intimate relation between pressure and solvent deuterium content. Isotopic substitution (H/D) in water provokes subtle entropic effects that, in turn, trigger a significant pressure shift, opening a pressure-wide miscibility window of as much as 1600 bar. Isotope effects are quantum in origin. Therefore, a model that is both pressure-dependent and considers quantization constitutes a necessary tool if one wishes to fully describe the p, T, x critical demixing in these systems. In the current work, the statistical-mechanical theory of isotope effects is combined with a compressible pressure-dependent model. This combination enabled us to predict successfully the overall L-L phase diagram via differences in the vibrational mode frequencies of water on its transfer from the pure state to that of dilution in 3-MP: each of the three librational modes undergo a calculated red-shift of -(250 +/- 30) cm(-1), while the overall internal frequencies contribution is estimated as a total +(400 +/- 25) cm(-1) blue-shift.

  2. Non-Markovian spin-resolved counting statistics and an anomalous relation between autocorrelations and cross correlations in a three-terminal quantum dot

    NASA Astrophysics Data System (ADS)

    Luo, JunYan; Yan, Yiying; Huang, Yixiao; Yu, Li; He, Xiao-Ling; Jiao, HuJun

    2017-01-01

    We investigate the noise correlations of spin and charge currents through an electron spin resonance (ESR)-pumped quantum dot, which is tunnel coupled to three electrodes maintained at an equivalent chemical potential. A recursive scheme is employed with inclusion of the spin degrees of freedom to account for the spin-resolved counting statistics in the presence of non-Markovian effects due to coupling with a dissipative heat bath. For symmetric spin-up and spin-down tunneling rates, an ESR-induced spin flip mechanism generates a pure spin current without an accompanying net charge current. The stochastic tunneling of spin carriers, however, produces universal shot noises of both charge and spin currents, revealing the effective charge and spin units of quasiparticles in transport. In the case of very asymmetric tunneling rates for opposite spins, an anomalous relationship between noise autocorrelations and cross correlations is revealed, where super-Poissonian autocorrelation is observed in spite of a negative cross correlation. Remarkably, with strong dissipation strength, non-Markovian memory effects give rise to a positive cross correlation of the charge current in the absence of a super-Poissonian autocorrelation. These unique noise features may offer essential methods for exploiting internal spin dynamics and various quasiparticle tunneling processes in mesoscopic transport.

  3. Study of non-equilibrium transport phenomena

    NASA Technical Reports Server (NTRS)

    Sharma, Surendra P.

    1987-01-01

    Nonequilibrium phenomena due to real gas effects are very important features of low density hypersonic flows. The shock shape and emitted nonequilibrium radiation are identified as the bulk flow behavior parameters which are very sensitive to the nonequilibrium phenomena. These parameters can be measured in shock tubes, shock tunnels, and ballistic ranges and used to test the accuracy of computational fluid dynamic (CFD) codes. Since the CDF codes, by necessity, are based on multi-temperature models, it is also desirable to measure various temperatures, most importantly, the vibrational temperature. The CFD codes would require high temperature rate constants, which are not available at present. Experiments conducted at the NASA Electric Arc-driven Shock Tube (EAST) facility reveal that radiation from steel contaminants overwhelm the radiation from the test gas. For the measurement of radiation and the chemical parameters, further investigation and then appropriate modifications of the EAST facility are required.

  4. Nonequilibrium Ablation of Phenolic Impregnated Carbon Ablator

    NASA Technical Reports Server (NTRS)

    Milos, Frank S.; Chen, Yih K.; Gokcen, Tahir

    2012-01-01

    In previous work, an equilibrium ablation and thermal response model for Phenolic Impregnated Carbon Ablator was developed. In general, over a wide range of test conditions, model predictions compared well with arcjet data for surface recession, surface temperature, in-depth temperature at multiple thermocouples, and char depth. In this work, additional arcjet tests were conducted at stagnation conditions down to 40 W/sq cm and 1.6 kPa. The new data suggest that nonequilibrium effects become important for ablation predictions at heat flux or pressure below about 80 W/sq cm or 10 kPa, respectively. Modifications to the ablation model to account for nonequilibrium effects are investigated. Predictions of the equilibrium and nonequilibrium models are compared with the arcjet data.

  5. Local entropy of a nonequilibrium fermion system

    NASA Astrophysics Data System (ADS)

    Stafford, Charles A.; Shastry, Abhay

    2017-03-01

    The local entropy of a nonequilibrium system of independent fermions is investigated and analyzed in the context of the laws of thermodynamics. It is shown that the local temperature and chemical potential can only be expressed in terms of derivatives of the local entropy for linear deviations from local equilibrium. The first law of thermodynamics is shown to lead to an inequality, not equality, for the change in the local entropy as the nonequilibrium state of the system is changed. The maximum entropy principle (second law of thermodynamics) is proven: a nonequilibrium distribution has a local entropy less than or equal to a local equilibrium distribution satisfying the same constraints. It is shown that the local entropy of the system tends to zero when the local temperature tends to zero, consistent with the third law of thermodynamics.

  6. Nonequilibrium air radiation (Nequair) program: User's manual

    NASA Technical Reports Server (NTRS)

    Park, C.

    1985-01-01

    A supplement to the data relating to the calculation of nonequilibrium radiation in flight regimes of aeroassisted orbital transfer vehicles contains the listings of the computer code NEQAIR (Nonequilibrium Air Radiation), its primary input data, and explanation of the user-supplied input variables. The user-supplied input variables are the thermodynamic variables of air at a given point, i.e., number densities of various chemical species, translational temperatures of heavy particles and electrons, and vibrational temperature. These thermodynamic variables do not necessarily have to be in thermodynamic equilibrium. The code calculates emission and absorption characteristics of air under these given conditions.

  7. Fluctuation theorem for partially masked nonequilibrium dynamics

    NASA Astrophysics Data System (ADS)

    Shiraishi, Naoto; Sagawa, Takahiro

    2015-01-01

    We establish a generalization of the fluctuation theorem for partially masked nonequilibrium dynamics. We introduce a partial entropy production with a subset of all possible transitions, and show that the partial entropy production satisfies the integral fluctuation theorem. Our result reveals the fundamental properties of a broad class of autonomous as well as nonautonomous nanomachines. In particular, our result gives a unified fluctuation theorem for both autonomous and nonautonomous Maxwell's demons, where mutual information plays a crucial role. Furthermore, we derive a fluctuation-dissipation theorem that relates nonequilibrium stationary current to two kinds of equilibrium fluctuations.

  8. Nonequilibrium temperature response for stochastic overdamped systems

    NASA Astrophysics Data System (ADS)

    Falasco, G.; Baiesi, M.

    2016-04-01

    The thermal response of nonequilibrium systems requires the knowledge of concepts that go beyond entropy production. This is showed for systems obeying overdamped Langevin dynamics, either in steady states or going through a relaxation process. Namely, we derive the linear response to perturbations of the noise intensity, mapping it onto the quadratic response to a constant small force. The latter, displaying divergent terms, is explicitly regularised with a novel path-integral method. The nonequilibrium equivalents of heat capacity and thermal expansion coefficient are two applications of this approach, as we show with numerical examples.

  9. Energy repartition in the nonequilibrium steady state

    NASA Astrophysics Data System (ADS)

    Yan, Peng; Bauer, Gerrit E. W.; Zhang, Huaiwu

    2017-01-01

    The concept of temperature in nonequilibrium thermodynamics is an outstanding theoretical issue. We propose an energy repartition principle that leads to a spectral (mode-dependent) temperature in steady-state nonequilibrium systems. The general concepts are illustrated by analytic solutions of the classical Heisenberg spin chain connected to Langevin heat reservoirs with arbitrary temperature profiles. Gradients of external magnetic fields are shown to localize spin waves in a Wannier-Zeemann fashion, while magnon interactions renormalize the spectral temperature. Our generic results are applicable to other thermodynamic systems such as Newtonian liquids, elastic solids, and Josephson junctions.

  10. Nonequilibrium noise in electrophoresis: The microion wind

    NASA Astrophysics Data System (ADS)

    Saha, Suropriya; Ramaswamy, Sriram

    2014-03-01

    A colloid supported against gravitational settling by means of an imposed electric field behaves, on average, as if it is at equilibrium in a confining potential [T. M. Squires, J. Fluid Mech. 443, 403 (2001), 10.1017/S0022112001005432]. We show, however, that the effective Langevin equation for the colloid contains a nonequilibrium noise source, proportional to the field, arising from the thermal motion of dissolved ions. The position fluctuations of the colloid show strong, experimentally testable signatures of nonequilibrium behavior, including a highly anisotropic, frequency-dependent "effective temperature" obtained from the fluctuation-dissipation ratio.

  11. The non-equilibrium and energetic cost of sensory adaptation

    SciTech Connect

    Lan, G.; Sartori, Pablo; Tu, Y.

    2011-03-24

    Biological sensory systems respond to external signals in short time and adapt to permanent environmental changes over a longer timescale to maintain high sensitivity in widely varying environments. In this work we have shown how all adaptation dynamics are intrinsically non-equilibrium and free energy is dissipated. We show that the dissipated energy is utilized to maintain adaptation accuracy. A universal relation between the energy dissipation and the optimum adaptation accuracy is established by both a general continuum model and a discrete model i n the specific case of the well-known E. coli chemo-sensory adaptation. Our study suggests that cellular level adaptations are fueled by hydrolysis of high energy biomolecules, such as ATP. The relevance of this work lies on linking the functionality of a biological system (sensory adaptation) with a concept rooted in statistical physics (energy dissipation), by a mathematical law. This has been made possible by identifying a general sensory system with a non-equilibrium steady state (a stationary state in which the probability current is not zero, but its divergence is, see figure), and then numerically and analytically solving the Fokker-Planck and Master Equations which describe the sensory adaptive system. The application of our general results to the case of E. Coli has shed light on why this system uses the high energy SAM molecule to perform adaptation, since using the more common ATP would not suffice to obtain the required adaptation accuracy.

  12. Do Quantum Dice Remember?

    NASA Astrophysics Data System (ADS)

    Durt, Thomas

    2014-03-01

    We shall present certain experiments aimed at testing the Markovian nature of the quantum statistical distributions and comment their results, which confirmed the standard quantum interpretation. We shall also show how certain sophisticated experiments that were realized in the framework of quantum optics during the last decade in order to test fundamental effects such as quantum non-locality also lead us to eliminate certain (non-Markovian and non-local) alternatives to the standard quantum theory.

  13. Nonthermal fixed points in quantum field theory beyond the weak-coupling limit

    NASA Astrophysics Data System (ADS)

    Berges, Jürgen; Wallisch, Benjamin

    2017-02-01

    Quantum systems in extreme conditions can exhibit universal behavior far from equilibrium associated to nonthermal fixed points with a wide range of topical applications from early-Universe inflaton dynamics and heavy-ion collisions to strong quenches in ultracold quantum gases. So far, most studies have relied on a mapping of the quantum dynamics onto a classical-statistical theory that can be simulated on a computer. However, the mapping is based on a weak-coupling limit, while phenomenological applications often require moderate interaction strengths. We report on the observation of nonthermal fixed points directly in quantum field theory beyond the weak-coupling limit. For the example of a relativistic scalar O (N )-symmetric quantum field theory, we numerically solve the nonequilibrium dynamics employing a 1 /N expansion to next-to-leading order, which does not rely on a small coupling parameter. Starting from two different sets of overoccupied and of strong-field initial conditions, we find that nonthermal fixed points are not restricted to parameter ranges suitable for classical-statistical simulations but extend also to couplings of order 1. While the infrared behavior is found to be insensitive to the differences in the initial conditions, we demonstrate that transport phenomena to higher momenta depend on the presence or absence of a symmetry-breaking field expectation value.

  14. Topological Hall Effect in Skyrmions: A Nonequilibrium Coherent Transport Approach

    NASA Astrophysics Data System (ADS)

    Yin, Gen; Zang, Jiadong; Lake, Roger

    2014-03-01

    Skyrmion is a topological spin texture recently observed in many materials with broken inversion symmetry. In experiments, one effective method to detect the skyrmion crystal phase is the topological Hall measurement. At adiabatic approximation, previous theoretical studies show that the Hall signal is provided by an emergent magnetic field, which explains the topological Hall effect in the classical level. Motivated by the potential device application of skyrmions as digital bits, it is important to understand the topological Hall effect in the mesoscopic level, where the electron coherence should be considered. In this talk, we will discuss the quantum aspects of the topological Hall effect on a tight binding setup solved by nonequilibrium Green's function (NEGF). The charge distribution, Hall potential distribution, thermal broadening effect and the Hall resistivity are investigated in detail. The relation between the Hall resistance and the DM interaction is investigated. Driven by the spin transferred torque (SST), Skyrmion dynamics is previously studied within the adiabatic approximation. At the quantum transport level, this talk will also discuss the non-adiabatic effect in the skyrmion motion with the presence of the topological Hall effect. This material is based upon work supported by the National Science Foundation under Grant Nos. NSF 1128304 and NSF 1124733. It was also supported in part by FAME, one of six centers of STARnet, an SRC program sponsored by MARCO and DARPA.

  15. Boundary stability under nonequilibrium conditions. Final report

    SciTech Connect

    Hackney, S.A.; Lee, J.K.; Plichta, M.R.

    1999-08-01

    Summaries of research accomplished are given for the following areas: Morphological (Diffusional) Stability; A New Algorithm for Numerical Modeling of Non-equilibrium Materials Behavior; A Unified Treatment of Single and Microcrystalline Film Edge Instabilities; and Validation of the Structure Based Grain Boundary Diffusion/Migration Model.

  16. Relaxation dynamics in correlated quantum dots

    SciTech Connect

    Andergassen, S.; Schuricht, D.; Pletyukhov, M.; Schoeller, H.

    2014-12-04

    We study quantum many-body effects on the real-time evolution of the current through quantum dots. By using a non-equilibrium renormalization group approach, we provide analytic results for the relaxation dynamics into the stationary state and identify the microscopic cutoff scales that determine the transport rates. We find rich non-equilibrium physics induced by the interplay of the different energy scales. While the short-time limit is governed by universal dynamics, the long-time behavior features characteristic oscillations as well as an interplay of exponential and power-law decay.

  17. Hidden Statistics of Schroedinger Equation

    NASA Technical Reports Server (NTRS)

    Zak, Michail

    2011-01-01

    Work was carried out in determination of the mathematical origin of randomness in quantum mechanics and creating a hidden statistics of Schr dinger equation; i.e., to expose the transitional stochastic process as a "bridge" to the quantum world. The governing equations of hidden statistics would preserve such properties of quantum physics as superposition, entanglement, and direct-product decomposability while allowing one to measure its state variables using classical methods.

  18. Two- and three-pion quantum statistics correlations in Pb-Pb collisions at √sNN =2.76 TeV at the CERN Large Hadron Collider

    NASA Astrophysics Data System (ADS)

    Abelev, B.; Adam, J.; Adamová, D.; Aggarwal, M. M.; Rinella, G. Aglieri; Agnello, M.; Agocs, A. G.; Agostinelli, A.; Agrawal, N.; Ahammed, Z.; Ahmad, N.; Masoodi, A. Ahmad; Ahmed, I.; Ahn, S. U.; Ahn, S. A.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altini, V.; Altinpinar, S.; Altsybeev, I.; Prado, C. Alves Garcia; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arbor, N.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Arslandok, M.; Augustinus, A.; Averbeck, R.; Awes, T. C.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bairathi, V.; Bala, R.; Baldisseri, A.; Pedrosa, F. Baltasar Dos Santos; Bán, J.; Baral, R. C.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartke, J.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batyunya, B.; Batzing, P. C.; Baumann, C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bellwied, R.; Belmont-Moreno, E.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Berger, M. E.; Bergognon, A. A. E.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Bjelogrlic, S.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Boehmer, F. V.; Bogdanov, A.; Bøggild, H.; Bogolyubsky, M.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Bornschein, J.; Bossú, F.; Botje, M.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Caffarri, D.; Cai, X.; Caines, H.; Caliva, A.; Villar, E. Calvo; Camerini, P.; Roman, V. Canoa; Carena, F.; Carena, W.; Carminati, F.; Díaz, A. Casanova; Castellanos, J. Castillo; Casula, E. A. R.; Catanescu, V.; Cavicchioli, C.; Sanchez, C. Ceballos; Cepila, J.; Cerello, P.; Chang, B.; Chapeland, S.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Barroso, V. Chibante; Chinellato, D. D.; Chochula, P.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Balbastre, G. Conesa; Conesa Del Valle, Z.; Connors, M. E.; Contin, G.; Contreras, J. G.; Cormier, T. M.; Morales, Y. Corrales; Cortese, P.; Maldonado, I. Cortés; Cosentino, M. R.; Costa, F.; Crochet, P.; Albino, R. Cruz; Cuautle, E.; Cunqueiro, L.; Dainese, A.; Dang, R.; Danu, A.; Das, D.; Das, I.; Das, K.; Das, S.; Dash, A.; Dash, S.; de, S.; Delagrange, H.; Deloff, A.; Dénes, E.; D'Erasmo, G.; de Barros, G. O. V.; de Caro, A.; de Cataldo, G.; de Cuveland, J.; de Falco, A.; de Gruttola, D.; De Marco, N.; de Pasquale, S.; de Rooij, R.; Corchero, M. A. Diaz; Dietel, T.; Divià, R.; Bari, D. Di; Liberto, S. Di; Mauro, A. Di; Nezza, P. Di; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Gimenez, D. Domenicis; Dönigus, B.; Dordic, O.; Dorheim, S.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Majumdar, A. K. Dutta; Elia, D.; Engel, H.; Erazmus, B.; Erdal, H. A.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabris, D.; Faivre, J.; Falchieri, D.; Fantoni, A.; Fasel, M.; Fehlker, D.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Téllez, A. Fernández; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floratos, E.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Girard, M. Fusco; Gaardhøje, J. J.; Gagliardi, M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Garishvili, I.; Gerhard, J.; Germain, M.; Gheata, A.; Gheata, M.; Ghidini, B.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez, R.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Graczykowski, L. K.; Grajcarek, R.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Guilbaud, M.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Khan, K. H.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hanratty, L. D.; Hansen, A.; Harris, J. W.; Hartmann, H.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Hayrapetyan, A.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Corral, G. Herrera; Hess, B. A.; Hetland, K. F.; Hicks, B.; Hippolyte, B.; Hladky, J.; Hristov, P.; Huang, M.; Humanic, T. J.; Hutter, D.; Hwang, D. S.; Ianigro, J.-C.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Incani, E.; Innocenti, G. M.; Ionita, C.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Ivanytskyi, O.; Jachołkowski, A.; Jahnke, C.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, S.; Bustamante, R. T. Jimenez; Jones, P. G.; Jung, H.; Jusko, A.; Kalcher, S.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kang, J. H.; Kaplin, V.; Kar, S.; Uysal, A. Karasu; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kebschull, U.; Keidel, R.; Ketzer, B.; Khan, M. Mohisin.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, B.; Kim, D. W.; Kim, D. J.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, J.; Klein-Bösing, C.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Köhler, M. K.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Konevskikh, A.; Kovalenko, V.; Kowalski, M.; Kox, S.; Meethaleveedu, G. Koyithatta; Kral, J.; Králik, I.; Kramer, F.; Kravčáková, A.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Krus, M.; Kryshen, E.; Krzewicki, M.; Kučera, V.; Kucheriaev, Y.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, J.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kushpil, V.; Kweon, M. J.; Kwon, Y.; de Guevara, P. Ladron; Fernandes, C. Lagana; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; Pointe, S. L. La; Rocca, P. La; Lea, R.; Lee, G. R.; Legrand, I.; Lehnert, J.; Lemmon, R. C.; Lenhardt, M.; Lenti, V.; Leogrande, E.; Leoncino, M.; Monzón, I. León; Lévai, P.; Li, S.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loggins, V. R.; Loginov, V.; Lohner, D.; Loizides, C.; Lopez, X.; Torres, E. López; Lu, X.-G.; Luettig, P.; Lunardon, M.; Luo, J.; Luparello, G.; Luzzi, C.; Gago, A. M.; Jacobs, P. M.; Ma, R.; Maevskaya, A.; Mager, M.; Mahapatra, D. P.; Maire, A.; Malaev, M.; Cervantes, I. Maldonado; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Marín, A.; Markert, C.; Marquard, M.; Martashvili, I.; Martin, N. A.; Martinengo, P.; Martínez, M. I.; García, G. Martínez; Blanco, J. Martin; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Matyja, A.; Mayer, C.; Mazer, J.; Mazumder, R.; Mazzoni, M. A.; Meddi, F.; Menchaca-Rocha, A.; Pérez, J. Mercado; Meres, M.; Miake, Y.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitu, C. M.; Mlynarz, J.; Mohanty, B.; Molnar, L.; Zetina, L. Montaño; Montes, E.; Morando, M.; de Godoy, D. A. Moreira; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Muhuri, S.; Mukherjee, M.; Müller, H.; Munhoz, M. G.; Murray, S.; Musa, L.; Musinsky, J.; Nandi, B. K.; Nania, R.; Nappi, E.; Nattrass, C.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nicassio, M.; Niculescu, M.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Nilsen, B. S.; Noferini, F.; Nomokonov, P.; Nooren, G.; Nyanin, A.; Nyatha, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Okatan, A.; Olah, L.; Oleniacz, J.; da Silva, A. C. Oliveira; Onderwaater, J.; Oppedisano, C.; Velasquez, A. Ortiz; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Pachmayer, Y.; Pachr, M.; Pagano, P.; Paić, G.; Painke, F.; Pajares, C.; Pal, S. K.; Palmeri, A.; Pant, D.; Papikyan, V.; Pappalardo, G. S.; Park, W. J.; Passfeld, A.; Patalakha, D. I.; Paticchio, V.; Paul, B.; Pawlak, T.; Peitzmann, T.; da Costa, H. Pereira; Filho, E. Pereira De Oliveira; Peresunko, D.; Lara, C. E. Pérez; Peryt, W.; Pesci, A.; Pestov, Y.; Petráček, V.; Petran, M.; Petris, M.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Planinic, M.; Płoskoń, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Pohjoisaho, E. H. O.; Polichtchouk, B.; Poljak, N.; Pop, A.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, V.; Potukuchi, B.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Rauf, A. W.; Razazi, V.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reicher, M.; Reidt, F.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Rivetti, A.; Rocco, E.; Cahuantzi, M. Rodríguez; Manso, A. Rodriguez; Røed, K.; Rogochaya, E.; Rohni, S.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossegger, S.; Rossi, A.; Roy, A.; Roy, C.; Roy, P.; Montero, A. J. Rubio; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, R.; Sahu, P. K.; Saini, J.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Castro, X. Sanchez; Rodríguez, F. J. Sánchez; Šándor, L.; Sandoval, A.; Sano, M.; Santagati, G.; Sarkar, D.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, P. A.; Scott, R.; Segato, G.; Seger, J. E.; Selyuzhenkov, I.; Seo, J.; Serradilla, E.; Sevcenco, A.; Shabetai, A.; Shabratova, G.; Shahoyan, R.; Shangaraev, A.; Sharma, N.; Sharma, S.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Skjerdal, K.; Smakal, R.; Smirnov, N.; Snellings, R. J. M.; Søgaard, C.; Soltz, R.; Song, J.; Song, M.; Soramel, F.; Sorensen, S.; Spacek, M.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Stolpovskiy, M.; Strmen, P.; Suaide, A. A. P.; Vasquez, M. A. Subieta; Sugitate, T.; Suire, C.; Suleymanov, M.; Sultanov, R.; Šumbera, M.; Susa, T.; Symons, T. J. M.; de Toledo, A. Szanto; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Takahashi, J.; Tangaro, M. A.; Takaki, J. D. Tapia; Peloni, A. Tarantola; Martinez, A. Tarazona; Tauro, A.; Muñoz, G. Tejeda; Telesca, A.; Terrevoli, C.; Minasyan, A. Ter; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Toia, A.; Torii, H.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ulery, J.; Ullaland, K.; Ulrich, J.; Uras, A.; Usai, G. L.; Vajzer, M.; Vala, M.; Palomo, L. Valencia; Vallero, S.; Vyvre, P. Vande; Vannucci, L.; van Hoorne, J. W.; van Leeuwen, M.; Vargas, A.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vechernin, V.; Veldhoen, M.; Venaruzzo, M.; Vercellin, E.; Limón, S. Vergara; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Baillie, O. Villalobos; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, B.; Wagner, J.; Wagner, V.; Wang, M.; Wang, Y.; Watanabe, D.; Weber, M.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Xiang, C.; Yaldo, C. G.; Yamaguchi, Y.; Yang, H.; Yang, P.; Yang, S.; Yano, S.; Yasnopolskiy, S.; Yi, J.; Yin, Z.; Yoo, I.-K.; Yushmanov, I.; Zaccolo, V.; Zach, C.; Zaman, A.; Zampolli, C.; Zaporozhets, S.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, F.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhao, C.; Zhou, D.; Zhou, F.; Zhou, Y.; Zhu, H.; Zhu, J.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zoccarato, Y.; Zynovyev, M.; Zyzak, M.; Alice Collaboration

    2014-02-01

    Correlations induced by quantum statistics are sensitive to the spatiotemporal extent as well as dynamics of particle-emitting sources in heavy-ion collisions. In addition, such correlations can be used to search for the presence of a coherent component of pion production. Two- and three-pion correlations of same and mixed charge are measured at low relative momentum to estimate the coherent fraction of charged pions in Pb-Pb collisions at √sNN =2.76 TeV at the CERN Large Hadron Collider with ALICE. The genuine three-pion quantum statistics correlation is found to be suppressed relative to the two-pion correlation based on the assumption of fully chaotic pion emission. The suppression is observed to decrease with triplet momentum. The observed suppression at low triplet momentum may correspond to a coherent fraction in charged-pion emission of 23%±8%.

  19. Optimal protocols for slowly driven quantum systems

    NASA Astrophysics Data System (ADS)

    Zulkowski, Patrick R.; DeWeese, Michael R.

    2015-09-01

    The design of efficient quantum information processing will rely on optimal nonequilibrium transitions of driven quantum systems. Building on a recently developed geometric framework for computing optimal protocols for classical systems driven in finite time, we construct a general framework for optimizing the average information entropy for driven quantum systems. Geodesics on the parameter manifold endowed with a positive semidefinite metric correspond to protocols that minimize the average information entropy production in finite time. We use this framework to explicitly compute the optimal entropy production for a simple two-state quantum system coupled to a heat bath of bosonic oscillators, which has applications to quantum annealing.

  20. Quantum correlation of an optically controlled open quantum system

    NASA Astrophysics Data System (ADS)

    Chan, Ching-Kit; Sham, L. J.

    2012-02-01

    A precise time-dependent optical control of an open quantum system relies on an accurate account of the quantum interference among the system, the photon control and the dissipative environment. In the spirit of the Keldysh non-equilibrium Green's function approach, we develop a diagrammatic technique to precisely calculate this quantum correlation for a fast multimode coherent photon control against slow relaxation, valid for both Markovian and non-Markovian systems. We demonstrate how this novel formalism can lead to a better accuracy than existing approximations of the master equation. We also describe extensions to cases with controls by photon state other than the coherent Glauber state.

  1. Editorial: Focus on Dynamics and Thermalization in Isolated Quantum Many-Body Systems

    NASA Astrophysics Data System (ADS)

    Cazalilla, M. A.; Rigol, M.

    2010-05-01

    The dynamics and thermalization of classical systems have been extensively studied in the past. However, the corresponding quantum phenomena remain, to a large extent, uncharted territory. Recent experiments with ultracold quantum gases have at last allowed exploration of the coherent dynamics of isolated quantum systems, as well as observation of non-equilibrium phenomena that challenge our current understanding of the dynamics of quantum many-body systems. These experiments have also posed many new questions. How can we control the dynamics to engineer new states of matter? Given that quantum dynamics is unitary, under which conditions can we expect observables of the system to reach equilibrium values that can be predicted by conventional statistical mechanics? And, how do the observables dynamically approach their statistical equilibrium values? Could the approach to equilibrium be hampered if the system is trapped in long-lived metastable states characterized, for example, by a certain distribution of topological defects? How does the dynamics depend on the way the system is perturbed, such as changing, as a function of time and at a given rate, a parameter across a quantum critical point? What if, conversely, after relaxing to a steady state, the observables cannot be described by the standard equilibrium ensembles of statistical mechanics? How would they depend on the initial conditions in addition to the other properties of the system, such as the existence of conserved quantities? The search for answers to questions like these is fundamental to a new research field that is only beginning to be explored, and to which researchers with different backgrounds, such as nuclear, atomic, and condensed-matter physics, as well as quantum optics, can make, and are making, important contributions. This body of knowledge has an immediate application to experiments in the field of ultracold atomic gases, but can also fundamentally change the way we approach and

  2. PIMC Validation of Effective Quantum Potentials for MD Simulations of Dense Plasmas

    NASA Astrophysics Data System (ADS)

    Whitley, Heather D.; Castor, John I.; Langdon, A. Bruce; Khairallah, Saad A.; Surh, Michael P.; Dubois, Jonathan L.; Alder, Berni J.; Draeger, Erik W.; Schwegler, Eric; Graziani, Frank R.; Murillo, Michael S.

    2010-11-01

    Molecular dynamics (MD) simulations of dense plasmas, such as those found in non-equilibrium laser fusion experiments, are challenging due to the importance of several quantum mechanical effects. We currently employ approximate statistical potentials, obtained exactly in the pair approximation from a numerical solution of the Bloch equation for the Coulomb density matrix. The fermionic character of the electrons is handled via an effective Pauli potential. We first study the accuracy of existing pair potentials and their extension to lower temperature and high Z ions by examining the exact pair density matrix. We then perform classical hypernetted chain and MD simulations using those effective potentials to study equilibrium thermodynamics of dense plasmas. Fully quantum path integral Monte Carlo (PIMC) simulations are used to gauge the accuracy of the classical calculations for dense hydrogen. Using feedback from the PIMC, we can further refine the effective Coulomb and Pauli potentials. Prepared by LLNL under Contract DE-AC52-07NA27344.

  3. Self-ordered stationary states of driven quantum degenerate gases in optical resonators

    NASA Astrophysics Data System (ADS)

    Sandner, R. M.; Niedenzu, W.; Piazza, F.; Ritsch, H.

    2015-09-01

    We study the role of quantum statistics in the self-ordering of ultracold bosons and fermions moving inside an optical resonator with transverse coherent pumping. For few particles we numerically compute the nonequilibrium dynamics of the density matrix towards the self-ordered stationary state of the coupled atom-cavity system. We include quantum fluctuations of the particles and the cavity field. These fluctuations in conjunction with cavity cooling determine the stationary distribution of the particles, which exhibits a transition from a homogeneous to a spatially ordered phase with the appearance of a superradiant scattering peak in the cavity output spectrum. While the ordering threshold is generally lower for bosons, we confirm the recently predicted zero pump strength threshold for superradiant scattering for fermions when the cavity photon momentum coincides with twice the Fermi momentum.

  4. Complementary relations in non-equilibrium stochastic processes

    NASA Astrophysics Data System (ADS)

    Kim, Eun-jin; Nicholson, S. B.

    2015-08-01

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

  5. Theories of Pattern Formation and Nonequilibrium Phenomena in Materials

    SciTech Connect

    James S. Langer

    2001-03-27

    Specific areas of research: The dynamics of fracture, decohesion, and associated dissipative mechanisms in solids; Statistical theories of nonequilibrium phenomena in complex materials. The theme that is common to all of the research proposed here, and the work accomplished with support from previous DOE grants, is the search for fundamental understanding of a variety of processes that occur in materials driven far from thermal or mechanical equilibrium. The topics of principal interest during the coming grant period will be, primarily, the dynamics of fracture in solids, and also some new topics in the theory of phase transitions in complex materials. The work proposed here is a continuation of research supported by DOE Grant No. DE-FG03-84ER45108. Part II of this proposal is a progress report for work supported by that Grant. Part III contains descriptions of projects proposed for the period April 1, 1996-March 31, 2000.

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

    PubMed

    Smerlak, Matteo; Vaitla, Bapu

    2017-01-01

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

  7. Microscopic versus macroscopic approaches to non-equilibrium systems

    NASA Astrophysics Data System (ADS)

    Derrida, Bernard

    2011-01-01

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

  8. A non-equilibrium formulation of food security resilience

    PubMed Central

    Vaitla, Bapu

    2017-01-01

    Resilience, the ability to recover from adverse events, is of fundamental importance to food security. This is especially true in poor countries, where basic needs are frequently threatened by economic, environmental and health shocks. An empirically sound formalization of the concept of food security resilience, however, is lacking. Here, we introduce a general non-equilibrium framework for quantifying resilience based on the statistical notion of persistence. Our approach can be applied to any food security variable for which high-frequency time-series data are available. We illustrate our method with per capita kilocalorie availability for 161 countries between 1961 and 2011. We find that resilient countries are not necessarily those that are characterized by high levels or less volatile fluctuations of kilocalorie intake. Accordingly, food security policies and programmes will need to be tailored not only to welfare levels at any one time, but also to long-run welfare dynamics. PMID:28280586

  9. Virial Theorem and Non-Equilibrium Canonical-Dissipative Distributions Characterizing Parkinson Tremor

    NASA Astrophysics Data System (ADS)

    Frank, T. D.

    The virial theorem and the concept of canonical-statistical distributions represent two fundamental elements of statistical physics. We apply these concepts to hand tremor oscillations recorded from six Parkinson patients. We find that the virial theorem holds for Parkinson tremor oscillations. In contrast, we find that the concept of canonical distributions fails to a certain extent and needs to be replaced by the notion of non-canonical (i.e., canonical-dissipative) distributions. In doing so, our analysis reveals both general statistical aspects and non-equilibrium aspects of Parkinson hand tremor.

  10. Two-time quantum transport and quantum diffusion.

    PubMed

    Kleinert, P

    2009-05-01

    Based on the nonequilibrium Green's function technique, a unified theory is developed that covers quantum transport and quantum diffusion in bulk semiconductors on the same footing. This approach, which is applicable to transport via extended and localized states, extends previous semiphenomenological studies and puts them on a firm microscopic basis. The approach is sufficiently general and applies not only to well-studied quantum-transport problems, but also to models, in which the Hamiltonian does not commute with the dipole operator. It is shown that even for the unified treatment of quantum transport and quantum diffusion in homogeneous systems, all quasimomenta of the carrier distribution function are present and fulfill their specific function. Particular emphasis is put on the double-time nature of quantum kinetics. To demonstrate the existence of robust macroscopic transport effects that have a true double-time character, a phononless steady-state current is identified that appears only beyond the generalized Kadanoff-Baym ansatz.

  11. Shannon-entropy-based nonequilibrium ``entropic'' temperature of a general distribution

    NASA Astrophysics Data System (ADS)

    Narayanan, K. R.; Srinivasa, A. R.

    2012-03-01

    The concept of temperature is one of the key ideas in describing the thermodynamical properties of systems. In classical statistical mechanics of ideal gases, the notion of temperature can be described in at least two different ways: the kinetic temperature (related to the average kinetic energy of the particles) and the thermodynamic temperature (related to the ratio between infinitesimal changes in entropy and energy). For the Boltzmann distribution, the two notions lead to the same result. However, for nonequilibrium phenomena, while the kinetic temperature has been commonly used both for theoretical and simulation purposes, there appears to be no corresponding general definition of thermodynamic or entropic temperature. In this paper, we consider the statistical or Shannon entropy of a system and use the “de Bruijn identity” from information theory (see Appendix A 2 for a derivation of this identity) to show that it is possible to define a “Shannon temperature” or “entropic temperature” T for a nonequilibrium system as the ratio between the average curvature of the Hamiltonian function associated with the system and the trace of the Fisher information matrix of the nonequilibrium probability distribution (see Appendix A 1 for a definition of the Fisher information). We show that this definition subsumes many other attempts at defining entropic temperatures for nonequilibrium systems and is not restricted to equilibrium or near equilibrium systems. Intuitively, the gist of our approach is to use the Shannon or Gibbs entropy of a system and make use of the relation dS=dQrev/T as a definition of temperature. We achieve this by positing a statistical notion of infinitesimal heating as the addition of uncorrelated random variables (in a special way). As an example of the utility of such a definition, we obtain the nonequilibrium entropic temperature for a system satisfying the Langevin equations. For such a system, we show that while the kinetic

  12. Shannon-entropy-based nonequilibrium "entropic" temperature of a general distribution.

    PubMed

    Narayanan, K R; Srinivasa, A R

    2012-03-01

    The concept of temperature is one of the key ideas in describing the thermodynamical properties of systems. In classical statistical mechanics of ideal gases, the notion of temperature can be described in at least two different ways: the kinetic temperature (related to the average kinetic energy of the particles) and the thermodynamic temperature (related to the ratio between infinitesimal changes in entropy and energy). For the Boltzmann distribution, the two notions lead to the same result. However, for nonequilibrium phenomena, while the kinetic temperature has been commonly used both for theoretical and simulation purposes, there appears to be no corresponding general definition of thermodynamic or entropic temperature. In this paper, we consider the statistical or Shannon entropy of a system and use the "de Bruijn identity" from information theory (see Appendix A 2 for a derivation of this identity) to show that it is possible to define a "Shannon temperature" or "entropic temperature" T for a nonequilibrium system as the ratio between the average curvature of the Hamiltonian function associated with the system and the trace of the Fisher information matrix of the nonequilibrium probability distribution (see Appendix A 1 for a definition of the Fisher information). We show that this definition subsumes many other attempts at defining entropic temperatures for nonequilibrium systems and is not restricted to equilibrium or near equilibrium systems. Intuitively, the gist of our approach is to use the Shannon or Gibbs entropy of a system and make use of the relation dS=dQ(rev)/T as a definition of temperature. We achieve this by positing a statistical notion of infinitesimal heating as the addition of uncorrelated random variables (in a special way). As an example of the utility of such a definition, we obtain the nonequilibrium entropic temperature for a system satisfying the Langevin equations. For such a system, we show that while the kinetic temperature is

  13. Locating topological phase transitions using nonequilibrium signatures in local bulk observables

    NASA Astrophysics Data System (ADS)

    Roy, Sthitadhi; Moessner, Roderich; Das, Arnab

    2017-01-01

    Topological quantum phases cannot be characterized by local order parameters in the bulk. In this work, however, we show that nonanalytic signatures of a topological quantum critical point do remain in local observables in the bulk, and manifest themselves as nonanalyticities in their expectation values taken over a family of nonequilibrium states generated using a quantum quench protocol. The signature can be used for precisely locating the critical points in parameter space. A large class of initial states can be chosen for the quench, including finite temperature states. We demonstrate these results in tractable models of noninteracting fermions exhibiting topological phase transitions in one and two spatial dimensions. We also show that the nonanalyticities can be absent if the gap closing is nontopological, i.e., when it corresponds to no phase transition.

  14. Information-theoretic tools for parametrized coarse-graining of non-equilibrium extended systems

    NASA Astrophysics Data System (ADS)

    Katsoulakis, Markos A.; Plecháč, Petr

    2013-08-01

    In this paper, we focus on the development of new methods suitable for efficient and reliable coarse-graining of non-equilibrium molecular systems. In this context, we propose error estimation and controlled-fidelity model reduction methods based on Path-Space Information Theory, combined with statistical parametric estimation of rates for non-equilibrium stationary processes. The approach we propose extends the applicability of existing information-based methods for deriving parametrized coarse-grained models to Non-Equilibrium systems with Stationary States. In the context of coarse-graining it allows for constructing optimal parametrized Markovian coarse-grained dynamics within a parametric family, by minimizing information loss (due to coarse-graining) on the path space. Furthermore, we propose an asymptotically equivalent method—related to maximum likelihood estimators for stochastic processes—where the coarse-graining is obtained by optimizing the information content in path space of the coarse variables, with respect to the projected computational data from a fine-scale simulation. Finally, the associated path-space Fisher Information Matrix can provide confidence intervals for the corresponding parameter estimators. We demonstrate the proposed coarse-graining method in (a) non-equilibrium systems with diffusing interacting particles, driven by out-of-equilibrium boundary conditions, as well as (b) multi-scale diffusions and the corresponding stochastic averaging limits, comparing them to our proposed methodologies.

  15. Entropy and Nonlinear Nonequilibrium Thermodynamic Relation for Heat Conducting Steady States

    NASA Astrophysics Data System (ADS)

    Komatsu, Teruhisa S.; Nakagawa, Naoko; Sasa, Shin-Ichi; Tasaki, Hal

    2011-01-01

    Among various possible routes to extend entropy and thermodynamics to nonequilibrium steady states (NESS), we take the one which is guided by operational thermodynamics and the Clausius relation. In our previous study, we derived the extended Clausius relation for NESS, where the heat in the original relation is replaced by its "renormalized" counterpart called the excess heat, and the Gibbs-Shannon expression for the entropy by a new symmetrized Gibbs-Shannon-like expression. Here we concentrate on Markov processes describing heat conducting systems, and develop a new method for deriving thermodynamic relations. We first present a new simpler derivation of the extended Clausius relation, and clarify its close relation with the linear response theory. We then derive a new improved extended Clausius relation with a "nonlinear nonequilibrium" contribution which is written as a correlation between work and heat. We argue that the "nonlinear nonequilibrium" contribution is unavoidable, and is determined uniquely once we accept the (very natural) definition of the excess heat. Moreover it turns out that to operationally determine the difference in the nonequilibrium entropy to the second order in the temperature difference, one may only use the previous Clausius relation without a nonlinear term or must use the new relation, depending on the operation (i.e., the path in the parameter space). This peculiar "twist" may be a clue to a better understanding of thermodynamics and statistical mechanics of NESS.

  16. Improved dynamical scaling analysis using the kernel method for nonequilibrium relaxation.

    PubMed

    Echinaka, Yuki; Ozeki, Yukiyasu

    2016-10-01

    The dynamical scaling analysis for the Kosterlitz-Thouless transition in the nonequilibrium relaxation method is improved by the use of Bayesian statistics and the kernel method. This allows data to be fitted to a scaling function without using any parametric model function, which makes the results more reliable and reproducible and enables automatic and faster parameter estimation. Applying this method, the bootstrap method is introduced and a numerical discrimination for the transition type is proposed.

  17. Quantum thermodynamic processes: a control theory for machine cycles

    NASA Astrophysics Data System (ADS)

    Birjukov, J.; Jahnke, T.; Mahler, G.

    2008-07-01

    The minimal set of thermodynamic control parameters consists of a statistical (thermal) and a mechanical one. These suffice to introduce all the pertinent thermodynamic variables; thermodynamic processes can then be defined as paths on this 2-dimensional control plane. Putting aside coherence we show that for a large class of quantum objects with discrete spectra and for the cycles considered the Carnot efficiency applies as a universal upper bound. In the dynamic (finite time) regime renormalized thermodynamic variables allow to include non-equilibrium phenomena in a systematic way. The machine function ceases to exist in the large speed limit; the way, in which this limit is reached, depends on the type of cycle considered.

  18. Terahertz Amplifier Based On Gain Switching In a Quantum Cascade Laser

    NASA Astrophysics Data System (ADS)

    Jukam, N.; Rungsawang, R.; Dhillon, S. S.; Oustinov, D.; Madéo, J.; Barbieri, S.; Manquest, C.; Sirtori, C.; Khanna, S. P.; Linfield, E.; Davies, A. G.; Tignon, J.

    2011-12-01

    A terahertz quantum cascade laser and an integrated Auston-switch are coupled to perform ultrafast gain switching. The resulting non-equilibrium gain is not clamped above laser threshold and large amplification of input terahertz pulses is demonstrated.

  19. PREFACE: Advanced many-body and statistical methods in mesoscopic systems

    NASA Astrophysics Data System (ADS)

    Anghel, Dragos Victor; Sabin Delion, Doru; Sorin Paraoanu, Gheorghe

    2012-02-01

    It has increasingly been realized in recent times that the borders separating various subfields of physics are largely artificial. This is the case for nanoscale physics, physics of lower-dimensional systems and nuclear physics, where the advanced techniques of many-body theory developed in recent times could provide a unifying framework for these disciplines under the general name of mesoscopic physics. Other fields, such as quantum optics and quantum information, are increasingly using related methods. The 6-day conference 'Advanced many-body and statistical methods in mesoscopic systems' that took place in Constanta, Romania, between 27 June and 2 July 2011 was, we believe, a successful attempt at bridging an impressive list of topical research areas: foundations of quantum physics, equilibrium and non-equilibrium quantum statistics/fractional statistics, quantum transport, phases and phase transitions in mesoscopic systems/superfluidity and superconductivity, quantum electromechanical systems, quantum dissipation, dephasing, noise and decoherence, quantum information, spin systems and their dynamics, fundamental symmetries in mesoscopic systems, phase transitions, exactly solvable methods for mesoscopic systems, various extension of the random phase approximation, open quantum systems, clustering, decay and fission modes and systematic versus random behaviour of nuclear spectra. This event brought together participants from seventeen countries and five continents. Each of the participants brought considerable expertise in his/her field of research and, at the same time, was exposed to the newest results and methods coming from the other, seemingly remote, disciplines. The talks touched on subjects that are at the forefront of topical research areas and we hope that the resulting cross-fertilization of ideas will lead to new, interesting results from which everybody will benefit. We are grateful for the financial and organizational support from IFIN-HH, Ovidius

  20. A nonequilibrium phase transition in immune response

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Qi, An-Shen

    2004-07-01

    The dynamics of immune response correlated to signal transduction in immune thymic cells (T cells) is studied. In particular, the problem of the phosphorylation of the immune-receptor tyrosine-based activation motifs (ITAM) is explored. A nonlinear model is established on the basis of experimental observations. The behaviours of the model can be well analysed using the concepts of nonequilibrium phase transitions. In addition, the Riemann-Hugoniot cusp catastrophe is demonstrated by the model. Due to the application of the theory of nonequilibrium phase transitions, the biological phenomena can be clarified more precisely. The results can also be used to further explain the signal transduction and signal discrimination of an important type of immune T cell.