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Dynamics

Approach to Equilibrium of Statistical Systems: Classical Particles and Quantum Fields Off-Equilibrium

R. F. Álvarez-Estrada

Published Jun 13, 2023• 1 citation
Publisher

Abstract

Non-equilibrium evolution at absolute temperature T and approach to equilibrium of statistical systems in long-time (t) approximations, using both hierarchies and functional integrals, are reviewed. A classical non-relativistic particle in one spatial dimension, subject to a potential and a heat bath (hb), is described by the non-equilibrium reversible Liouville distribution (W) and equation, with a suitable initial condition. The Boltzmann equilibrium distribution Weq generates orthogonal (Hermite) polynomials Hn in momenta. Suitable moments Wn of W (using the Hn’s) yield a non-equilibrium three-term hierarchy (different from the standard Bogoliubov–Born–Green–Kirkwood–Yvon one), solved through operator continued fractions. After a long-t approximation, the Wn’s yield irreversibly approach to equilibrium. The approach is extended (without hb) to: (i) a non-equilibrium system of N classical non-relativistic particles interacting through repulsive short range potentials and (ii) a classical ϕ4 field theory (without hb). The extension to one non-relativistic quantum particle (with hb) employs the non-equilibrium Wigner function (WQ): difficulties related to non-positivity of WQ are bypassed so as to formulate approximately approach to equilibrium. A non-equilibrium quantum anharmonic oscillator is analyzed differently, through functional integral methods. The latter allows an extension to relativistic quantum ϕ4 field theory (a meson gas off-equilibrium, without hb), facing ultraviolet divergences and renormalization. Genuine simplifications of quantum ϕ4 theory at high T and large distances and long t occur; then, through a new argument for the field-theoretic case, the theory can be approximated by a classical ϕ4 one, yielding an approach to equilibrium.

DOI
10.3390/dynamics3020020

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

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Annalen der Physik•Jun 10, 2009•0 citations
Non-equilibrium evolution at absolute temperature T and approach to equilibrium of statistical systems in long-time (t) approximations, using both hierarchies and functional integrals, are reviewed. A classical non-relativistic particle in one spatial dimension, subject to a potential and a heat bath (hb), is described by the non-equilibrium reversible Liouville distribution (W) and equation, with a suitable initial condition. The Boltzmann equilibrium distribution Weq generates orthogonal (Hermite) polynomials Hn in momenta. Suitable moments Wn of W (using the Hn’s) yield a non-equilibrium three-term hierarchy (different from the standard Bogoliubov–Born–Green–Kirkwood–Yvon one), solved through operator continued fractions. After a long-t approximation, the Wn’s yield irreversibly approach to equilibrium. The approach is extended (without hb) to: (i) a non-equilibrium system of N classical non-relativistic particles interacting through repulsive short range potentials and (ii) a classical ϕ4 field theory (without hb). The extension to one non-relativistic quantum particle (with hb) employs the non-equilibrium Wigner function (WQ): difficulties related to non-positivity of WQ are bypassed so as to formulate approximately approach to equilibrium. A non-equilibrium quantum anharmonic oscillator is analyzed differently, through functional integral methods. The latter allows an extension to relativistic quantum ϕ4 field theory (a meson gas off-equilibrium, without hb), facing ultraviolet divergences and renormalization. Genuine simplifications of quantum ϕ4 theory at high T and large distances and long t occur; then, through a new argument for the field-theoretic case, the theory can be approximated by a classical ϕ4 one, yielding an approach to equilibrium.
We treat the non-equilibrium evolution of an open one-particle statistical system, subject to a potential and to an external “heat bath” (hb) with negligible dissipation. For the classical equilibrium Boltzmann distribution, Wc,eq, a non-equilibrium three-term hierarchy for moments fulfills Hermiticity, which allows one to justify an approximate long-time thermalization. That gives partial dynamical support to Boltzmann’s Wc,eq, out of the set of classical stationary distributions, Wc;st, also investigated here, for which neither Hermiticity nor that thermalization hold, in general. For closed classical many-particle systems without hb (by using Wc,eq), the long-time approximate thermalization for three-term hierarchies is justified and yields an approximate Lyapunov function and an arrow of time. The largest part of the work treats an open quantum one-particle system through the non-equilibrium Wigner function, W. Weq for a repulsive finite square well is reported. W’s (< 0 in various cases) are assumed to be quasi-definite functionals regarding their dependences on momentum (q). That yields orthogonal polynomials, HQ,n(q), for Weq (and for stationary Wst), non-equilibrium moments, Wn, of W and hierarchies. For the first excited state of the harmonic oscillator, its stationary Wst is a quasi-definite functional, and the orthogonal polynomials and three-term hierarchy are studied. In general, the non-equilibrium quantum hierarchies (associated with Weq) for the Wn’s are not three-term ones. As an illustration, we outline a non-equilibrium four-term hierarchy and its solution in terms of generalized operator continued fractions. Such structures also allow one to formulate long-time approximations, but make it more difficult to justify thermalization. For large thermal and de Broglie wavelengths, the dominant Weq and a non-equilibrium equation for W are reported: the non-equilibrium hierarchy could plausibly be a three-term one and possibly not far from Gaussian, and thermalization could possibly be justified.
We consider non-equilibrium open statistical systems, subject to potentials and to external “heat baths” (hb) at thermal equilibrium at temperature T (either with ab initio dissipation or without it). Boltzmann’s classical equilibrium distributions generate, as Gaussian weight functions in momenta, orthogonal polynomials in momenta (the position-independent Hermite polynomialsHn’s). The moments of non-equilibrium classical distributions, implied by the Hn’s, fulfill a hierarchy: for long times, the lowest moment dominates the evolution towards thermal equilibrium, either with dissipation or without it (but under certain approximation). We revisit that hierarchy, whose solution depends on operator continued fractions. We review our generalization of that moment method to classical closed many-particle interacting systems with neither a hb nor ab initio dissipation: with initial states describing thermal equilibrium at T at large distances but non-equilibrium at finite distances, the moment method yields, approximately, irreversible thermalization of the whole system at T, for long times. Generalizations to non-equilibrium quantum interacting systems meet additional difficulties. Three of them are: (i) equilibrium distributions (represented through Wigner functions) are neither Gaussian in momenta nor known in closed form; (ii) they may depend on dissipation; and (iii) the orthogonal polynomials in momenta generated by them depend also on positions. We generalize the moment method, dealing with (i), (ii) and (iii), to some non-equilibrium one-particle quantum interacting systems. Open problems are discussed briefly.
The theory of statistical mechanics provides a powerful conceptual framework within which the relevant (macroscopic) features of systems at equilibrium can be described. As there is currently no equivalent capable of encompassing the much richer class of non-equilibrium phenomena, research in this direction proceeds mainly on an instance-by-instance basis. The aim of this Thesis is to describe in some detail three such attempts, which involve different dynamical aspects of classical and quantum systems. As summarised below, each of the last three Chapters of this document delves into one of these different topics, while Chapter 2 provides a brief introduction on the study of non-equilibrium dynamics. In Chapter 3 we investigate the purely relaxational dynamics of classical critical ferromagnetic systems in the proximity of surfaces, paying particular attention to the effects that the latter induce on the early stages of the evolution following an abrupt change in the temperature of the sample. When the latter ends close enough to the critical value which separates the paramagnetic from the ferromagnetic phase, it effectively introduces a temporal boundary which can be treated as if it were a surface. Within this picture, we highlight the emergence of novel effects near the effective edge formed by the intersection of the two spatial and temporal boundaries. Our findings are apparently in disagreement with previous predictions which were based on the assumption that the presence of such an edge would not affect the scaling behaviour of observables; in order to explain this discrepancy, we propose an alternative for the original power-counting argument which, at least, correctly predicts the emergence of novel field-theoretical divergences in our one-loop calculations. We show that said singularities are associated with the scaling at the edge. Moreover, by encoding our findings in a boundary renormalisation group framework, we argue that the new predicted behaviour represents a universal feature associated to the short-distance expansion of the order parameter of the transition near the edge; we also calculate explicitly its anomalous dimension at the first-order in a dimensional expansion. As a qualitative feature, this anomalous dimension depends on the type of phase transition occurring at the surface. We exploit this fact in order to provide numerical support to our predictions via Monte Carlo simulations of the dynamical behaviour of a three-dimensional Ising model. The main results reported in Chap. 3 have appeared in Ref. [1]. In Chapter 4 we revisit the Euclidean mapping to imaginary times which has been recently proposed [2, 3] as an alternative for approaching the problem of quantum dynamics following a quench. This is expected to allow one to reformulate the original problem as a static one confined in a film geometry. We show that this interpretation actually holds only if the initial state of the dynamics is pure. Statistical mixtures, instead, intertwine the effects due to the two boundaries, which therefore cannot be regarded as being independent. We emphasize that, although the aforementioned reinterpretation as a confined static problem fails, one is still able, in principle, to write down and solve the corresponding equations. We also discuss in some detail the relation between this approach and the real-time field-theoretical one which makes use of the two-time Keldysh contour. For this purpose, we study the analytical structure of relevant observables — such as correlation functions — in the complex plane of times, identifying a subdivision of this domain into several sectors which depend on the ordering of the imaginary parts of the involved time coordinates. Within each of these subdomains, the analytic continuation to the real axis provides in principle a different result. This feature allows one to reconstruct from the Euclidean formalism all possible non-time-ordered functions, which in particular include all those which can be calculated via the Keldysh two-time formalism. Moreover, we give a prescription on how to retrieve response functions, discussing some simple examples and rationalising some recent numerical data obtained for one of these observables in a one-dimensional quantum Ising chain [4]. We also highlight the emergence of a light-cone effect fairly similar to the one previously found for correlation functions [2], which therefore provides further confirmation to the fact that information travels across the system in the form of the entanglement of quasi-particles produced by the quenching procedure. We have reported part of this analysis in Ref. [5]. Chapter 5 presents part of our recent work on effective relaxation in quantum systems following a quench and on the observed prethermalisation. We analyse the effects caused by the introduction of a long-range integrability-breaking interaction in the early stages of the dynamics of an otherwise integrable quantum spin chain following a quench in the magnetic field. By employing a suitable transformation, we redefine the theory in terms of a fully-connected model of hard-core bosons, which allows us to exploit the (generically) low density of excitations for rendering our model exactly solvable (in a numerical sense, i.e., by numerically diagonalising an exact matrix). We verify that, indeed, as long as the parameters of the quench are not too close to the critical point, the low-density approximation captures the dynamical features of the elementary operators, highlighting the appearance of marked plateaux in their dynamics, which we reinterpret as the emergence of a prethermal regime in the original model. As expected, the latter behaviour is reflected also on extensive observables which can be constructed as appropriate combinations of the mode populations. For these quantities, the typical approach to the quasi-stationary value is algebraic with exponent a ≈ 3, independently of the size of the system, the strength of the interaction and the amplitude of the magnetic field (as long as it is kept far from the critical point). The plateaux mentioned above last until a recurrence time — which can be approximately identified with tR ≈ N/2 for single modes and t′R ≈ N/4 for extensive quantities — after which quantum oscillations due to the finite size of the chain reappear. Our procedure allows us to shed some light over prethermal features without having to considerably limit the size of the system, which we can choose to be quite large, as we discuss in Ref. [6].
We establish a rather deep relation between statistical mechanics and quantum mechanics at an imaginary time. For the quantum field theory, this implies a relation between finite temperature quantum field theory in Minkowski space and quantum field theory in Euclidean space with one compact Euclidean time direction. The quantum mechanical language being a proper formulation of statistical physics as a molecular theory is basically the study of quantum equilibrium as well as non-equilibrium systems. A quantum system found in a thermodynamic equilibrium state with an external classical system (thermostat or thermal reservoir) may be characterized by fixed values of thermodynamic parameters of the system, say, for example, temperature T , volume V and number of particles N . In this way the total energy of the thermostat is assumed to be much greater than the energy of the system. The behavior of the quantum system may be assumed to be independent of the nature of the thermostat. The most convenient object of the quantum theory to describe such non-isolated systems is the density matrix since the partition function does not determine any local thermodynamic quantities. It is for this reason that we introduced quantum mechanical and quantum statistical density matrices which are necessary to do the investigation via path integration. This enables us to make a transition to the quasi-classical approximation of quantum statistical mechanics, which, in turn, enables us to evaluate the first quantum correction to the classical Boltzmann distribution function.
In this thesis we study three examples of interacting many-body systems undergoing a non equilibrium time evolution. Firstly we consider the time evolution in an integrable system: the sine-Gordon field theory in the repulsive regime. We will focus on the one point function of the semi-local vertex operator eiβφ(x)/2 on a specific class of initial states. By analytical means we show that the expectation value considered decays exponentially to zero at late times and we determine the decay time. The method employed is based on a form-factor expansion and uses the "Representative Eigenstate Approach" of Ref. [73] (a.k.a. "Quench Action"). In a second example we study the time evolution in models close to "special" integrable points characterised by hidden symmetries generating infinitely many local conservation laws that do not commute with one another, in addition to the infinite commuting family implied by integrability. We observe that both in the case where the perturbation breaks the integrability and when it breaks only the additional symmetries maintaining integrability, the local observables show a crossover behaviour from an initial to a final quasi stationary plateau. We investigate a weak coupling limit, identify a time window in which the effects of the perturbations become significant and solve the time evolution through a mean-field mapping. As an explicit example we study the XYZ spin-1/2 chain with additional perturbations that break integrability. Finally, we study the effects of integrability breaking perturbations on the non-equilibrium evolution of more general many-particle quantum systems, where the unperturbed integrable model is generic. We focus on a class of spinless fermion models with weak interactions. We employ equation of motion techniques that can be viewed as generalisations of quantum Boltzmann equations. We benchmark our method against time dependent density matrix renormalisation group computations and find it to be very accurate as long as interactions are weak. For small integrability breaking, we observe robust prethermalisation plateaux for local observables on all accessible time scales. Increasing the strength of the integrability breaking term induces a "drift" away from the prethermalisation plateaux towards thermal behaviour. We identify a time scale characterising this crossover.
Abstract We treat a relativistic quantum boson gas, described by a scalar quantum field, with quartic self‐interaction (ϕ 4 ) in three spatial dimensions: we review the known equilibrium case and present new proposals off‐equilibrium. For high temperature and large spatial scales, the behaviour of the gas at equilibrium simplifies nonperturbatively (equilibrium dimensional reduction or EDR): its thermodynamics is described by classical statistical mechanics with some quantum field effects. By assumption, the initial state of the gas off‐equilibrium includes interactions and inhomogeneities and is not far from thermal equilibrium. We employ real‐time generating functionals and obtain the free nonequilibrium correlators at non‐zero temperature. The nonequilibrium quantum gas appears to simplify nonperturbatively in the regime of high temperature and large temporal and spatial scales (nonequilibrium dimensional reduction or NEDR), its dynamics being described by classical statistical mechanics with some quantum field effects. We outline the renormalization of the ϕ 4 theory, the nonequilibrium statistical mechanics of a quantum anharmonic oscillator and the high temperature simplifications, all of which provide very useful hints for NEDR in the field case. Our main proposals are NEDR and the associated new (renormalized) real‐time nonequilibrium generating functionals for the ϕ 4 theory.