Statistical mechanics of composite particles: I. General formulation using a projection technique for the fixed ion plasma model

This paper is concerned with the Statistical Mechanics of an hydrogenic plasma with randomly fixed ions. Starting from the “physical” problem we introduce an “ideal” problem (with an enlarged state space); the latter is defined in such a way that its dynamical evolution leads to the dynamical evolution of the former by means of a projection technique. The interesting features of the “ideal” problem are to be simpler than the “physical” one (usual commutation relations for the “ideal” creation and annihilation operators) and to have a two-particle hamiltonian (instead of an infinite number of particle-operators as in all previous works).     

Equilibrium and metastable states of classical systems

We formulate a characterization of equilibrium and metastable states of classical hard-core continuous systems in terms of certain global and local stability conditions. The equilibrium states are assumed to be those that are both locally and globally stable; the metastable states are assumed to be those that are locally, but not globally, stable, and that possess also a certain restricted global stability. It is found that a certain specified class of systems with appropriately weakly tempered, or long range forces, can support metastable states, possessing bona fide thermodynamic properties, whose pressure functions are real analytic continuations in the chemical potential of those of some equilibrium phases. This result is complementary to that of Lanford and Ruelle, concerning the absence of metastable states of systems with strongly tempered forces.     

Stability properties and the KMS condition

First we derive stability properties of KMS states and subsequently we derive the KMS condition from stability properties. New results include a convergent perturbation expansion for perturbed KMS states in terms of appropriate truncated functions and stability properties of ground states. Finally we extend the results of Haag, Kastler, Trych-Pohlmeyer by proving that stable states ofL ¹-asymptotically abelian systems which satisfy a weak three point cluster property are automatically KMS states. This last theorem gives an almost complete characterization of KMS states, ofL ¹-asymptotic abelian systems, by stability and cluster properties (a slight discrepancy can occur for infinite temperature states).Supported during this research by the Norwegian Research Council for Science and Humanities     

Preparation and relaxation of very stable glassy states of a simulated liquid

We prepare metastable glassy states in a model glass former made of Lennard-Jones particles by sampling biased ensembles of trajectories with low dynamical activity. These trajectories form an inactive dynamical phase whose "fast" vibrational degrees of freedom are maintained at thermal equilibrium by contact with a heat bath, while the "slow" structural degrees of freedom are located in deep valleys of the energy landscape. We examine the relaxation to equilibrium and the vibrational properties of these metastable states. The glassy states we prepare by our trajectory sampling method are very stable to thermal fluctuations and also more mechanically rigid than low-temperature equilibrated configurations.     

Statistical mechanics of quantum spin systems. II

In the first part of this paper we continue the general analysis of quantum spin systems. It is demonstrated, for a large class of interactions, that time-translations form a group of automorphisms of theC*-algebra of quasi-local observables and that the thermodynamic equilibrium states are invariant under this group. Further it is shown that the equilibrium states possess the Kubo-Martin-Schwinger analyticity and boundary condition properties. In the second part of the paper we give a general analysis of states which are invariant under space and time translations and also satisfy the KMS boundary condition. A discussion of these latter conditions and their connection with the decomposition of invariant states into ergodic states is given. Various properties pertinent to this discussion are derived.Supported in part by the Office of Naval Research Contract No. Nonr 1866 (5).     

KMS conditions and local thermodynamical stability of quantum lattice systems

We formulate local thermodynamical stability conditions for states of quantum lattice systems, and show that these conditions are implied by, and in the case of translationally invariant states equivalent to, those of Kubo-Martin-Schwinger (KMS).     

Intrinsic irreversibility of Kolmogorov dynamical systems

We give the mathematical details and various extensions of the results stated in previous work of Courbage and Prigogine. “Intrinsic random systems” are deterministic and conservative dynamical systems for which we can associate two dissipative Markov processes through a one-to-one “change of representation”, the first leading to equilibrium for t→+∞ and the second for t→-∞. The microscopic formulation of the second principle of thermodynamics permits to lift the degeneracy by the exclusion of all states that do not approach equilibrium for t→+∞. The set of admitted initial conditions $\text{D}$⁺ is then characterized by a non-equilibrium entropy functional which is infinite for rejected initial states and takes finite values for admitted initial conditions. Thus, rejected initial states correspond to an infinite amount of information. To realize this selection rule we consider general probability measures on phase space that are not necessarily absolutely continuous and we extend the theory of transition to Markov processes to such measures. Owing to the non-invariance of $\text{D}$⁺ under the time inversion, the evolution of these states in the new representation can only be given by one of the two possible Markov processes.     

Equilibrium states for a classical lattice gas

Various definitions of thermodynamic equilibrium states for a classical lattice gas are given and are proved to be equivalent. In all cases, a set of equations is given, the solutions of which are by definition equilibrium states. Examples are the condition of Lanford and Ruelle, and the KMS boundary condition. In connection with this, it is shown that the time translation for classical interactions exists as an automorphism of the quantum algebra of observables, under conditions which are weaker than those found for quantum interactions.     

Dynamical process of complex systems and fractional differential equations

Behavior of dynamical process of complex systems is investigated. Specifically we analyse two types of ideal complex systems. For analysing the ideal complex systems, we define the response functions describing the internal states to an external force. The internal states are obtained as a relaxation process showing a “power law” distribution, such as scale free behaviors observed in actual measurements. By introducing a hybrid system, the logarithmic time, and double logarithmic time, we show how the “slow relaxation” (SR) process and “super slow relaxation” (SSR) process occur. Regarding the irregular variations of the internal states as an activation process, we calculate the response function to the external force. The behaviors are classified into “power”, “exponential”, and “stretched exponential” type. Finally we construct a fractional differential equation (FDE) describing the time evolution of these complex systems. In our theory, the exponent of the FDE or that of the power law distribution is expressed in terms of the parameters characterizing the structure of the system.     

复相系平衡条件及平衡稳定性条件的分析

复相系平衡条件及平衡稳定性条件的分析曾丹苓（重庆大学热力工程系重庆６３００４４）关键词复相系，平衡条件，平衡稳定性条件１引言汽液相变是工程上常见的现象，它是一个复杂的物理过程，涉及到传热传质、相转变、表面现象、流体流动及工质热物性等领域，但从热力学的...     

Stability of Quantum Systems at Three Scales: Passivity, Quantum Weak Energy Inequalities and the Microlocal Spectrum Condition

Quantum weak energy inequalities have recently been extensively discussed as a condition on the dynamical stability of quantum field states, particularly on curved spacetimes. We formulate the notion of a quantum weak energy inequality for general dynamical systems on static background spacetimes and establish a connection between quantum weak energy inequalities and thermodynamics. Namely, for such a dynamical system, we show that the existence of a class of states satisfying a quantum weak inequality implies that passive states (e.g., mixtures of ground- and thermal equilibrium states) exist for the time-evolution of the system and, therefore, that the second law of thermodynamics holds. As a model system, we consider the free scalar quantum field on a static spacetime. Although the Weyl algebra does not satisfy our general assumptions, our abstract results do apply to a related algebra which we construct, following a general method which we carefully describe, in Hilbert-space representations induced by quasifree Hadamard states. We discuss the problem of reconstructing states on the Weyl algebra from states on the new algebra and give conditions under which this may be accomplished. Previous results for linear quantum fields show that, on one hand, quantum weak energy inequalities follow from the Hadamard condition (or microlocal spectrum condition) imposed on the states, and on the other hand, that the existence of passive states implies that there is a class of states fulfilling the microlocal spectrum condition. Thus, the results of this paper indicate that these three conditions of dynamical stability are essentially equivalent. This observation is significant because the three conditions become effective at different length scales: The microlocal spectrum condition constrains the short-distance behaviour of quantum states (microscopic stability), quantum weak energy inequalities impose conditions at finite distance (mesoscopic stability), and the existence of passive states is a statement on the global thermodynamic stability of the system (macroscopic stability).Max-Planck-Institute for Mathematics in the Sciences, Inselstr. 22, 04103 Leipzig, Germany. verch@mis.mpg.de     

On the Stability Behaviour of Boltzmann's Equation

The Boltzmann equation for an “isolated” gas system is assumed to form a “dynamical system” in a compact subset of the space of continuous distribution functions (existence assumption). Then the asymptotic stability in the sense of Lyapunov of the total Maxwell distribution is investigated (“approach to equilibrium”). Further the influence of persistent perturbations on the stability behaviour of Boltzmann's equation is considered (“structural stability”).     

On Fermion Grading Symmetry for Quasi-Local Systems

We discuss fermion grading symmetry for quasi-local systems with graded commutation relations. We introduce a criterion of spontaneously symmetry breaking (SSB) for general quasi-local systems. It is formulated based on the idea that each pair of distinct phases (appeared in spontaneous symmetry breaking) should be disjoint not only for the total system but also for every complementary outside system of a local region specified by the given quasi-local structure. Under a completely model independent setting, we show the absence of SSB for fermion grading symmetry in the above sense. We obtain some structural results for equilibrium states of lattice systems. If there would exist an even KMS state for some even dynamics that is decomposed into noneven KMS states, then those noneven states inevitably violate our local thermal stability condition.     

Correlation inequalities and equilibrium states

For an infinite dynamical system, idealized as a von Neumann algebra acted upon by a time translation implemented by a HamiltonianH, we characterize equilibrium states (KMS) by stationarity, a Bogoliubov-type inequality and continuous spectrum ofH, except at zero.Aangesteld Navorser NFWO, Belgium     

Interdiffusion in condensed solutions

Expressions for the coefficient of interdiffusion of components in a binary condensed vacancy-free alloy and a diffusion coefficient matrix for the same alloy with equilibrium and nonequilibrium vacancies are studied. In the first alloy, metastable states may appear if the mixing energy is positive. In the case of the second alloy, closed spinodals may arise under certain conditions. In binary systems with a constant concentration of particles having close atomic volumes, a vacancy stationary nonequilibrium distribution is observed, which may generate vacancy “channels” through which atoms diffuse much more rapidly than in the regular lattice.     

An analytical study of the static state of multi-junctions in a multi-phase field model

We investigate the properties of the multi-order parameter phase field model of Steinbach and Pezzolla [I. Steinbach, F. Pezzolla, A generalized field method for multi-phase transformations using interface fields, Physica D 134 (1999) 385–393] with respect to the behavior in triple and higher order junctions. From the structure of this model, it was speculated that “dynamical” solutions may exist in the triple junction, which could lead to a violation of Young’s law. Here we confirm analytically recent numerical simulations showing that such dynamical states do not exist, and that an equilibrium solution therefore does indeed correspond to a minimum of the free energy; this implies that Young’s law must be satisfied in the framework of the model. We show that Young’s law is a consequence of the interface kinetic equilibrium and not due to a mechanical force balance, in agreement with earlier predictions [C. Caroli, C. Misbah, On static and dynamical Young’s condition at a trijunction, J. Phys. I France 7 (1997) 1259–1265].     

Noise-induced quasiperiodicity in a ring of unidirectionally-coupled nonidentical maps

Transitions from equilibrium to quasiperiodicity and from a two-cycle to a quasiperiodic regime are studied in a ring of unidirectionally-coupled nonidentical logistic maps. The former scenario is realized through a “soft” (Neimark–Sacker) bifurcation, while the latter through a “hard” (saddle-node) bifurcation. Special attention is paid on a noise-induced transition through “hard” bifurcation, where a phenomenon of structural stabilization of the quasiperiodic system near the bifurcation point is observed and analyzed in detail.     

Stochastic theory for rate constants of chemical reactions in liquid solution

The stochastic model of irreversible processes is developed in a fashion that yields expressions for the magnitudes and temperature dependences of chemical reaction rate constants. The model is sufficiently abstract to encompass reactions in liquids as well as those in gases. For liquid reactions both the general point of view and one feature of the results (the “frequency factor”) are apparently new. For gas reactions the viewpoints and the results are compatible with (though not as detailed as) those of well-established collision theory. An approximation (to the effect that nonreactive but energy-redistributing transitions are much more frequent than reactive ones) may limit the quantitative, though not the schematic, application of this development to reactions in the presence of an excess of inert diluent. The traditional assumption to the effect that reactants are in equilibrium with “activated complexes” (whether or not such exist in the sense of possessing well-defined microstates) is avoided. As in previous discussion of sufficient conditions for an Arrhenius rate law, in which certain complicating features (treated here) of the case of chemical reactions were ignored, the method used here involves taking explicit account of the role of those (rapidly equilibrating via frequent nonreactive transitions) degrees of freedom that serve as the activation-energy-supplying (and temperature defining) “reservoir” by use of an especially detailed form of stochastic master equation. A concise form for the master equation facilitates (1) the appropriate extension of the previously described steady state treatment of the case in which a “transition state” lasts sufficiently long to be internally equilibrated and (2) the treatment of the probably more realistic case in which reactants undergo transitions directly to products without a definable intermediate and in which “transition state” can only be defined in terms of an energy threshold in the reaction transition probability. The latter case is a generalization to arbitrary density of that originally treated by Ross and Mazur within the framework of collision theory for bimoleculear dilute gas reactions. The familiar exponential dependence on “free energy of activation” is obtained for both cases, but the physical basis for it is different (in both cases) from that provided by the classical version of transition state theory. The “frequency factor” is not in either case simplykT/h but rather is dependent on the fundamental couplings within the system. It is also dependent on an effective “number of states” of reactants, products, and reservoir. A brief discussion of the possible significance of this latter feature in both enzymatic catalysis and heterogeneous catalysis is presented.     

Colour chemistry — A study of metastable multiquark molecules

We propose a framework for treating metastable multiquark states in general, borrowing some of the chemist's concepts and terminology. Lists of “ions” and “bonds” are compiled which allow one in principle to construct models of complex “molecules” and to predict their masses and decays.