Equilibrium and nonequilibrium properties of systems with long-range interactions

We briefly review some equilibrium and nonequilibrium properties of systems with long-range interactions. Such systems, which are characterized by a potential that weakly decays at large distances, have striking properties at equilibrium, like negative specific heat in the microcanonical ensemble, temperature jumps at first order phase transitions, broken ergodicity. Here, we mainly restrict our analysis to mean-field models, where particles globally interact with the same strength. We show that relaxation to equilibrium proceeds through quasi-stationary states whose duration increases with system size. We propose a theoretical explanation, based on Lynden-Bell’s entropy, of this intriguing relaxation process. This allows to address problems related to nonequilibrium using an extension of standard equilibrium statistical mechanics. We discuss in some detail the example of the dynamics of the free electron laser, where the existence and features of quasi-stationary states is likely to be tested experimentally in the future. We conclude with some perspectives to study open problems and to find applications of these ideas to dipolar media.     

Hydrodynamic and Thermodynamic Nonequilibrium Effects around Shock Waves: Based on a Discrete Boltzmann Method

A shock wave that is characterized by sharp physical gradients always draws the medium out of equilibrium. In this work, both hydrodynamic and thermodynamic nonequilibrium effects around the shock wave are investigated using a discrete Boltzmann model. Via Chapman–Enskog analysis, the local equilibrium and nonequilibrium velocity distribution functions in one-, two-, and three-dimensional velocity space are recovered across the shock wave. Besides, the absolute and relative deviation degrees are defined in order to describe the departure of the fluid system from the equilibrium state. The local and global nonequilibrium effects, nonorganized energy, and nonorganized energy flux are also investigated. Moreover, the impacts of the relaxation frequency, Mach number, thermal conductivity, viscosity, and the specific heat ratio on the nonequilibrium behaviours around shock waves are studied. This work is helpful for a deeper understanding of the fine structures of shock wave and nonequilibrium statistical mechanics.     

变像管相机中空间电荷效应的统计动力学分析

 从Boltzmann积分微分方程出发推出了保守势场中电子数密度按势能的分布规律,即Boltzmann统计分布。以此为基础,从统计动力学的角度详细分析了变像管相机中超短电子脉冲内部的空间电荷效应,通过求解Poisson方程得出了表征空间电荷效应的两个特征参量：空间电荷密度分布函数和速度分布函数,并对其按电位的动态变化规律进行了定性讨论。结果表明,限制变像管中的低电位区域和其中光电子脉冲从高电位向低电位传输的区域都将有助于优化整个变像管的性能。同时也重新讨论了光电阴极附近强加速场对光电子脉冲时间弥散的抑制作用,最终确定了其物理机制为不等位区间中电子脉冲空间分布的高度集中性。     

Measuring thermodynamic length

Thermodynamic length is a metric distance between equilibrium thermodynamic states. Among other interesting properties, this metric asymptotically bounds the dissipation induced by a finite time transformation of a thermodynamic system. It is also connected to the Jensen-Shannon divergence, Fisher information, and Rao's entropy differential metric. Therefore, thermodynamic length is of central interest in understanding matter out of equilibrium. In this Letter, we will consider how to define thermodynamic length for a small system described by equilibrium statistical mechanics and how to measure thermodynamic length within a computer simulation. Surprisingly, Bennett's classic acceptance ratio method for measuring free energy differences also measures thermodynamic length.     

Microscopic non-equilibrium structure and dynamical model of entropy flow

The extension of quantum mechanics to a general functional space (“rigged Hilbert space”), which incorporates time-symmetry breaking, is applied to construct extract dynamical models of entropy production and entropy flow. They are illustrated by using a simple conservative Hamiltonian system for multilevel atoms coupled to a time-dependent external force. The external force destroys the monotonicity of the ℋ-function evolution. This leads to a model of the entropy flow that allows a steady nonequilibrium structure of the emitted field around the unstable particles.     

Free energy and the relative entropy

Under the assumption of an identity determining the free energy of a state of a statistical mechanical system relative to a given equilibrium state by means of the relative entropy, it is shown: first, that there is in any physically definable convex set of states a unique state of minimum free energy measured relative to a given equilibrium state; second, that if a state has finite free energy relative to an equilibrium state, then the set of its time translates is a weakly relatively compact set; and third, that a unique perturbed equilibrium state exists following a change in Hamiltonian that is bounded below.     

Statistical Mechanical Theory of a Closed Oscillating Universe

Based on Newton’s laws reformulated in the Hamiltonian dynamics combined with statistical mechanics, we formulate a statistical mechanical theory supporting the hypothesis of a closed universe oscillating in phase-space. We find that the behavior of this universe as a whole can be represented by a free entropic oscillator whose lifespan is nonhomogeneous, thus implying that time is shorter or longer according to the state of this universe given through its entropy. We conclude that time reduces to the entropy production of this universe and that a nonzero entropy production means that local fluctuations could exist giving rise to the appearance of masses and to the curvature of the space.     

Velocity Multistability vs. Ergodicity Breaking in a Biased Periodic Potential

Multistability, i.e., the coexistence of several attractors for a given set of system parameters, is one of the most important phenomena occurring in dynamical systems. We consider it in the velocity dynamics of a Brownian particle, driven by thermal fluctuations and moving in a biased periodic potential. In doing so, we focus on the impact of ergodicity—A concept which lies at the core of statistical mechanics. The latter implies that a single trajectory of the system is representative for the whole ensemble and, as a consequence, the initial conditions of the dynamics are fully forgotten. The ergodicity of the deterministic counterpart is strongly broken, and we discuss how the velocity multistability depends on the starting position and velocity of the particle. While for non-zero temperatures the ergodicity is, in principle, restored, in the low temperature regime the velocity dynamics is still affected by initial conditions due to weak ergodicity breaking. For moderate and high temperatures, the multistability is robust with respect to the choice of the starting position and velocity of the particle.     

Decrease in entropy as a result of measuring the time of escape from a potential well

The decrease in entropy when passing from an equilibrium thermodynamic system to a slightly nonequilibrium system is investigated. A quasi-equilibrium Boltzmann distribution is used to prove the conservation of free energy during this passage. Results are obtained for a Brownian particle in a potential well with a low escape probability. The escape is interpreted as a measurement. It is shown that because of the measurement itself, the distribution function is narrower than that for a system undisturbed by measurement, i.e., an equilibrium system. In this case, the entropy difference between the equilibrium and measurement-disturbed systems is equal to the amount of information entered into the system.     

A non-equilibrium Ising model of turbulence

We introduce a model of interacting lattices at different resolutions driven by the two-dimensional Ising dynamics with a nearest-neighbor interaction. We study this model both with tools borrowed from equilibrium statistical mechanics as well as non-equilibrium thermodynamics. Our findings show that this model keeps the signature of the equilibrium phase transition. The critical temperature of the equilibrium models corresponds to the state maximizing the entropy and delimits two out-of-equilibrium regimes, one satisfying the Onsager relations for systems close to equilibrium and one resembling convective turbulent states. Since the model preserves the entropy and energy fluxes in the scale space, it seems a good candidate for parametric studies of out-of-equilibrium turbulent systems.     

Derivation of reference distribution functions for Tokamak-plasmas by statistical thermodynamics

A general approach for deriving the expression of reference distribution functions by statistical thermodynamics is illustrated, and applied to the case of a magnetically confined plasma. The local equilibrium is defined by imposing the minimum entropy production, which applies only to the linear regime near a stationary thermodynamically non-equilibrium state and the maximum entropy principle under the scale invariance restrictions. This procedure may be adopted for a system subject to an arbitrary number of thermodynamic forces, however, for concreteness, we analyze, afterwords, a magnetically confined plasma subject to three thermodynamic forces, and three energy sources: (i) the total Ohmic heat, supplied by the transformer coil; (ii) the energy supplied by neutral beam injection (NBI); and (iii) the RF energy supplied by ion cyclotron resonant heating (ICRH) system which heats the minority population. In this limit case, we show that the derived expression of the distribution function is more general than that one, which is currently used for fitting the numerical steady-state solutions obtained by simulating the plasma by gyro-kinetic codes. An application to a simple model of fully ionized plasmas submitted to an external source is discussed. Through kinetic theory, we fixed the values of the free parameters linking them with the external power supplies. The singularity at low energy in the proposed distribution function is related to the intermittency in the turbulent plasma.     

Stationary velocity distribution in an external field: A one-dimensional model

The velocity distribution of a charged hard rod coupled to an external field and moving in a neutral equilibrium hard rod gas is studied on the basis of Boltzmann's equation. The exact stationary solution is found. Above a threshold value the field becomes effective in the high-velocity region slowing down the decay of the velocity distribution. The drift velocity and the mean kinetic energy are discussed as functions of the field.     

The Approach Towards Equilibrium in a Reversible Ising Dynamics Model: An Information-Theoretic Analysis Based on an Exact Solution

We study the approach towards equilibrium in a dynamic Ising model, the Q2R cellular automaton, with microscopic reversibility and conserved energy for an infinite one-dimensional system. Starting from a low-entropy state with positive magnetisation, we investigate how the system approaches equilibrium characteristics given by statistical mechanics. We show that the magnetisation converges to zero exponentially. The reversibility of the dynamics implies that the entropy density of the microstates is conserved in the time evolution. Still, it appears as if equilibrium, with a higher entropy density is approached. In order to understand this process, we solve the dynamics by formally proving how the information-theoretic characteristics of the microstates develop over time. With this approach we can show that an estimate of the entropy density based on finite length statistics within microstates converges to the equilibrium entropy density. The process behind this apparent entropy increase is a dissipation of correlation information over increasing distances. It is shown that the average information-theoretic correlation length increases linearly in time, being equivalent to a corresponding increase in excess entropy.     

Nonequilibrium Thermodynamics of Polymeric Liquids via Atomistic Simulation

The challenge of calculating nonequilibrium entropy in polymeric liquids undergoing flow was addressed from the perspective of extending equilibrium thermodynamics to include internal variables that quantify the internal microstructure of chain-like macromolecules and then applying these principles to nonequilibrium conditions under the presumption of an evolution of quasie equilibrium states in which the requisite internal variables relax on different time scales. The nonequilibrium entropy can be determined at various levels of coarse-graining of the polymer chains by statistical expressions involving nonequilibrium distribution functions that depend on the type of flow and the flow strength. Using nonequilibrium molecular dynamics simulations of a linear, monodisperse, entangled C₁₀₀₀H₂₀₀₂ polyethylene melt, nonequilibrium entropy was calculated directly from the nonequilibrium distribution functions, as well as from their second moments, and also using the radial distribution function at various levels of coarse-graining of the constituent macromolecular chains. Surprisingly, all these different methods of calculating the nonequilibrium entropy provide consistent values under both planar Couette and planar elongational flows. Combining the nonequilibrium entropy with the internal energy allows determination of the Helmholtz free energy, which is used as a generating function of flow dynamics in nonequilibrium thermodynamic theory.     

非平衡统计信息理论

阐述了以表述信息演化规律的信息（熵）演化方程为核心的非平 衡统计信息理论.推导出了 Shannon信息（熵）的非线性演化方程，引入了统计物理信息并 推导出了它的非线性演化方程.这两种信息（熵）演化方程一致表明：统计信息（熵）密度 随时间的变化率是由其在坐标空间（和态变量空间）的漂移、扩散和减损（产生）三者引起 的.由此方程出发，给出了统计信息减损率和统计熵产生率的简明公式、漂移信息流和扩散 信息流的表达式，证明了非平衡系统内的统计信息减损（或增加）率等于它的统计熵产生（ 或减少）率、信息扩散与信息减损同时 关键词： 统计信息（熵）演化方程 统计信息减损率 统计熵产 生率 信息（熵）流 信息（熵）扩散 动态互信息     

Adiabatic Theorems and Reversible Isothermal Processes

Isothermal processes of a finitely extended, driven quantum system in contact with an infinite heat bath are studied from the point of view of quantum statistical mechanics. Notions like heat flux, work and entropy are defined for trajectories of states close to, but distinct from states of joint thermal equilibrium. A theorem characterizing reversible isothermal processes as quasi-static processes (“isothermal theorem”) is described. Corollaries concerning the changes of entropy and free energy in reversible isothermal processes and on the 0th law of thermodynamics are outlined.*Supported by the Swiss National Foundation.     

One-Dimensional Steady Transport by Molecular Dynamics Simulation：Non-Boltzmann Position Distribution and Non-Arrhenius Dynamical Behavior

A non-equilibrium steady state can be characterized by a nonzero but stationary flux driven by a static external force. Under a weak external force, the drift velocity is difficult to detect because the drift motion is feeble and submerged in the intense thermal diffusion. In this article, we employ an accurate method in molecular dynamics simulation to determine the drift velocity of a particle driven by a weak external force in a one-dimensional periodic potential. With the calculated drift velocity, we found that the mobility and diffusion of the particle obey the Einstein relation, whereas their temperature dependences deviate from the Arrhenius law. A microscopic hopping mechanism was proposed to explain the non-Arrhenius behavior. Moreover, the position distribution of the particle in the potential well was found to deviate from the Boltzmann equation in a non-equilibrium steady state. The non-Boltzmann behavior may be attributed to the thermostat which introduces an effective "viscous" drag opposite to the drift direction of the particle.     

Rényi Entropy in Statistical Mechanics

Rényi entropy was originally introduced in the field of information theory as a parametric relaxation of Shannon (in physics, Boltzmann–Gibbs) entropy. This has also fuelled different attempts to generalise statistical mechanics, although mostly skipping the physical arguments behind this entropy and instead tending to introduce it artificially. However, as we will show, modifications to the theory of statistical mechanics are needless to see how Rényi entropy automatically arises as the average rate of change of free energy over an ensemble at different temperatures. Moreover, this notion is extended by considering distributions for isospectral, non-isothermal processes, resulting in relative versions of free energy, in which the Kullback–Leibler divergence or the relative version of Rényi entropy appear within the structure of the corrections to free energy. These generalisations of free energy recover the ordinary thermodynamic potential whenever isothermal processes are considered.