arXiv subjects

Michael Kastner

Publications and source records attributed to Michael Kastner.

72 records · Page 4Linked to original sources

arXiv2007

Phase transitions and configuration space topology

Equilibrium phase transitions may be defined as nonanalytic points of thermodynamic functions, e.g., of the canonical free energy. Given a certain physical system, it is of interest to understand which properties of the system account for the presence of a phase transition, and an understanding of these properties may lead to a deeper understanding of the physical phenomenon. One possible approach of this issue, reviewed and discussed in the present paper, is the study of topology changes in configuration space which, remarkably, are found to be related to equilibrium phase transitions in classical statistical mechanical systems. For the study of configuration space topology, one considers the subsets M_v, consisting of all points from configuration space with a potential energy per particle equal to or less than a given v. For finite systems, topology changes of M_v are intimately related to nonanalytic points of the microcanonical entropy (which, as a surprise to many, do exist). In the thermodynamic limit, a more complex relation between nonanalytic points of thermodynamic functions (i.e., phase transitions) and topology changes is observed. For some class of short-range systems, a topology change of the M_v at v=v_t was proved to be necessary for a phase transition to take place at a potential energy v_t. In contrast, phase transitions in systems with long-range interactions or in systems with non-confining potentials need not be accompanied by such a topology change. Instead, for such systems the nonanalytic point in a thermodynamic function is found to have some maximization procedure at its origin. These results may foster insight into the mechanisms which lead to the occurrence of a phase transition, and thus may help to explore the origin of this physical phenomenon.

cond-mat.stat-mech↗

arXiv2007

Phase Transitions from Saddles of the Potential Energy Landscape

The relation between saddle points of the potential of a classical many-particle system and the analyticity properties of its thermodynamic functions is studied. For finite systems, each saddle point is found to cause a nonanalyticity in the Boltzmann entropy, and the functional form of this nonanalytic term is derived. For large systems, the order of the nonanalytic term increases unboundedly, leading to an increasing differentiability of the entropy. Analyzing the contribution of the saddle points to the density of states in the thermodynamic limit, our results provide an explanation of how, and under which circumstances, saddle points of the potential energy landscape may (or may not) be at the origin of a phase transition in the thermodynamic limit. As an application, the puzzling observations by Risau-Gusman et al. on topological signatures of the spherical model are elucidated.

cond-mat.stat-mech↗

arXiv2007

Partial equivalence of statistical ensembles and kinetic energy

The phenomenon of partial equivalence of statistical ensembles is illustrated by discussing two examples, the mean-field XY and the mean-field spherical model. The configurational parts of these systems exhibit partial equivalence of the microcanonical and the canonical ensemble. Furthermore, the configurational microcanonical entropy is a smooth function, whereas a nonanalytic point of the configurational free energy indicates the presence of a phase transition in the canonical ensemble. In the presence of a standard kinetic energy contribution, partial equivalence is removed and a nonanalyticity arises also microcanonically. Hence in contrast to the common belief, kinetic energy, even though a quadratic form in the momenta, has a non-trivial effect on the thermodynamic behaviour. As a by-product we present the microcanonical solution of the mean-field spherical model with kinetic energy for finite and infinite system sizes.

cond-mat.stat-mech↗

arXiv2007

Bifurcations of discrete breathers in a diatomic Fermi-Pasta-Ulam chain

Discrete breathers are time-periodic, spatially localized solutions of the equations of motion for a system of classical degrees of freedom interacting on a lattice. Such solutions are investigated for a diatomic Fermi-Pasta-Ulam chain, i. e., a chain of alternate heavy and light masses coupled by anharmonic forces. For hard interaction potentials, discrete breathers in this model are known to exist either as ``optic breathers'' with frequencies above the optic band, or as ``acoustic breathers'' with frequencies in the gap between the acoustic and the optic band. In this paper, bifurcations between different types of discrete breathers are found numerically, with the mass ratio m and the breather frequency omega as bifurcation parameters. We identify a period tripling bifurcation around optic breathers, which leads to new breather solutions with frequencies in the gap, and a second local bifurcation around acoustic breathers. These results provide new breather solutions of the FPU system which interpolate between the classical acoustic and optic modes. The two bifurcation lines originate from a particular ``corner'' in parameter space (omega,m). As parameters lie near this corner, we prove by means of a center manifold reduction that small amplitude solutions can be described by a four-dimensional reversible map. This allows us to derive formally a continuum limit differential equation which characterizes at leading order the numerically observed bifurcations.

nlin.PS↗

arXiv2006

Nonanalyticities of entropy functions of finite and infinite systems

In contrast to the canonical ensemble where thermodynamic functions are smooth for all finite system sizes, the microcanonical entropy can show nonanalytic points also for finite systems, even if the Hamiltonian is smooth. The relation between finite and infinite system nonanalyticities is illustrated by means of a simple classical spin-like model which is exactly solvable for both, finite and infinite system sizes, showing a phase transition in the latter case. The microcanonical entropy is found to have exactly one nonanalytic point in the interior of its domain. For all finite system sizes, this point is located at the same fixed energy value $ε_{c}^{finite}$, jumping discontinuously to a different value $ε_{c}^{infinite}$ in the thermodynamic limit. Remarkably, $ε_{c}^{finite}$ equals the average potential energy of the infinite system at the phase transition point. The result, supplemented with results on nonanalyticities of the microcanonical entropy for other models, indicates that care is required when trying to infer infinite system properties from finite system nonanalyticities.

cond-mat.stat-mech↗

arXiv2006

Recursion relations for the partition function of the two-dimensional Ising model

The partition function of the two-dimensional Ising model on a square lattice with nearest-neighbour interactions and periodic boundary conditions is investigated. Kaufman [Phys. Rev. 76, 1232--1243 (1949)] gave a solution for this function consisting of four summands. The summands are rewritten as functions of a low-temperature expansion variable, resulting in polynomials with integer coefficients. Considering these polynomials for system sizes $2^m\times 2^n$ ($m,n\in\N$), a variety of recursion relations in $m,n$ are found. The recursions reveal a rich structure of the partition function and can be employed to render the computer algebra calculation of the microcanonical partition function more efficient.

cond-mat.stat-mech↗

arXiv2005

Application of large deviation theory to the mean-field phi^4-model

A large deviation technique is used to calculate the microcanonical entropy function s(v,m) of the mean-field phi^4-model as a function of the potential energy v and the magnetization m. As in the canonical ensemble, a continuous phase transition is found. An analytical expression is obtained for the critical energy v_c(J) as a function of the coupling parameter J.

cond-mat.stat-mech↗

arXiv2005

When topology triggers a phase transition

Two mathematical mechanisms, responsible for the generation of a thermodynamic singularity, are individuated. For a class of short-range, confining potentials, a topology change in some family of configuration space submanifolds is the only possible such mechanism. Two examples of systems in which the phase transition is not accompanied by a such topology change are discussed. The first one is a model with long-range interactions, namely the mean-field phi^4-model, the second example is a one-dimensional system with a non-confining potential energy function. For both these systems, the thermodynamic singularity is generated by a maximization over one variable (or one discrete index) of a smooth function, although the context in which the maximization occurs is very different.

cond-mat.stat-mech↗

arXiv2005

Topological approach to phase transitions and inequivalence of statistical ensembles

The relation between thermodynamic phase transitions in classical systems and topology changes in their state space is discussed for systems in which equivalence of statistical ensembles does not hold. As an example, the spherical model with mean field-type interactions is considered. Exact results for microcanonical and canonical quantities are compared with topological properties of a certain family of submanifolds of the state space. Due to the observed ensemble inequivalence, a close relation is expected to exist only between the topological approach and one of the statistical ensembles. It is found that the observed topology changes can be interpreted meaningfully when compared to microcanonical quantities.

cond-mat.stat-mech↗

arXiv2005

On the mean-field spherical model

Exact solutions are obtained for the mean-field spherical model, with or without an external magnetic field, for any finite or infinite number N of degrees of freedom, both in the microcanonical and in the canonical ensemble. The canonical result allows for an exact discussion of the loci of the Fisher zeros of the canonical partition function. The microcanonical entropy is found to be nonanalytic for arbitrary finite N. The mean-field spherical model of finite size N is shown to be equivalent to a mixed isovector/isotensor sigma-model on a lattice of two sites. Partial equivalence of statistical ensembles is observed for the mean-field spherical model in the thermodynamic limit. A discussion of the topology of certain state space submanifolds yields insights into the relation of these topological quantities to the thermodynamic behavior of the system in the presence of ensemble nonequivalence.

cond-mat.stat-mech↗

arXiv2005

The mean-field phi4-model: entropy, analyticity, and configuration space topology

A large deviation technique is applied to the mean-field phi4-model, providing an exact expression for the configurational entropy s(v,m) as a function of the potential energy v and the magnetization m. Although a continuous phase transition occurs at some critical energy v_c, the entropy is found to be a real analytic function in both arguments, and it is only the maximization over m which gives rise to a nonanalyticity in s(v)=sup_m s(v,m). This mechanism of nonanalyticity-generation by maximization over one variable of a real analytic function is restricted to systems with long-range interactions and has--for continuous phase transitions--the generic occurrence of classical critical exponents as an immediate consequence. Furthermore, this mechanism can provide an explanation why, contradictory to the so-called topological hypothesis, the phase transition in the mean-field phi4-model need not be accompanied by a topology change in the family of constant-energy submanifolds.

cond-mat.stat-mech↗

arXiv2005

Effective Hamiltonian for traveling discrete breathers in the FPU chain

For the Fermi-Pasta-Ulam chain, an effective Hamiltonian is constructed, describing the motion of approximate, weakly localized discrete breathers traveling along the chain. The velocity of these moving and localized vibrations can be estimated analytically as the group velocity of the corresponding wave packet. The Peierls-Nabarro barrier is estimated for strongly localized discrete breathers.

nlin.PS↗

arXiv2004

Unattainability of a purely topological criterion for the existence of a phase transition for non-confining potentials

The relation between thermodynamic phase transitions in classical systems and topology changes in their configuration space is discussed for a one-dimensional, analytically tractable solid-on-solid model. The topology of a certain family of submanifolds of configuration space is investigated, corroborating the hypothesis that, in general, a change of the topology within this family is a necessary condition in order to observe a phase transition. Considering two slightly differing versions of this solid-on-solid model, one showing a phase transition in the thermodynamic limit, the other not, we find that the difference in the ``quality'' or ``strength'' of this topology change appears to be insignificant. This example indicates the unattainability of a condition of exclusively topological nature which is sufficient as to guarantee the occurrence of a phase transition in systems with non-confining potentials.

cond-mat.stat-mech↗

arXiv2004

Dimension dependent energy thresholds for discrete breathers

Discrete breathers are time-periodic, spatially localized solutions of the equations of motion for a system of classical degrees of freedom interacting on a lattice. We study the existence of energy thresholds for discrete breathers, i.e., the question whether, in a certain system, discrete breathers of arbitrarily low energy exist, or a threshold has to be overcome in order to excite a discrete breather. Breather energies are found to have a positive lower bound if the lattice dimension d is greater than or equal to a certain critical value d_c, whereas no energy threshold is observed for d<d_c. The critical dimension d_c is system dependent and can be computed explicitly, taking on values between zero and infinity. Three classes of Hamiltonian systems are distinguished, being characterized by different mechanisms effecting the existence (or non-existence) of an energy threshold.

nlin.PS↗

arXiv2003

Energy thresholds for discrete breathers

Discrete breathers are time-periodic, spatially localized solutions of the equations of motion for a system of classical degrees of freedom interacting on a lattice. An important issue, not only from a theoretical point of view but also for their experimental detection, are their energy properties. We considerably enlarge the scenario of possible energy properties presented by Flach, Kladko, and MacKay [Phys. Rev. Lett. 78, 1207 (1997)]. Breather energies have a positive lower bound if the lattice dimension is greater than or equal to a certain critical value d_c. We show that d_c can generically be greater than two for a large class of Hamiltonian systems. Furthermore, examples are provided for systems where discrete breathers exist but do not emerge from the bifurcation of a band edge plane wave. Some of these systems support breathers of arbitrarily low energy in any spatial dimension.

nlin.PS↗

arXiv2003

Breathers in a model of a polymer with secondary structure

A simple model of a polymer is considered: a chain of (different) point masses, connected by harmonic springs, embedded in two dimensional space. In order to determine conditions for existence and stability of breather excitations, the method of numerical continuation of a breather solution from the anticontinuous limit is employed. Approaching the limit of equal masses, stable breather solutions are found only within an extremely narrow band of frequencies.

nlin.PS↗

arXiv2002

Existence and order of the phase transition of the Ising model with fixed magnetization

Properties of the two dimensional Ising model with fixed magnetization are deduced from known exact results on the two dimensional Ising model. The existence of a continuous phase transition is shown for arbitrary values of the fixed magnetization when crossing the boundary of the coexistence region. Modifications of this result for systems of spatial dimension greater than two are discussed.

cond-mat.stat-mech↗

arXiv1999

Magnetic Properties of Finite Systems: Microcanonical Finite Size Scaling

In the microcanonical ensemble, suitably defined observables show non-analyticities and power law behaviour even for finite systems. For these observables, a microcanonical finite-size scaling theory is established which facilitates an approach to the critical exponents of the infinite system.

cond-mat.stat-mech↗