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cond-mat.stat-mech

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Papers in this area

24 featured work(s)

preprint2005arXiv

The multivariate Tutte polynomial (alias Potts model) for graphs and matroids

The multivariate Tutte polynomial (known to physicists as the Potts-model partition function) can be defined on an arbitrary finite graph G, or more generally on an arbitrary matroid M, and encodes much important combinatorial information about the graph (indeed, in the matroid case it encodes the full structure of the matroid). It contains as a special case the familiar two-variable Tutte polynomial -- and therefore also its one-variable specializations such as the chromatic polynomial, the flow polynomial and the reliability polynomial -- but is considerably more flexible. I begin by giving an introduction to all these problems, stressing the advantages of working with the multivariate version. I then discuss some questions concerning the complex zeros of the multivariate Tutte polynomial, along with their physical interpretations in statistical mechanics (in connection with the Yang--Lee approach to phase transitions) and electrical circuit theory. Along the way I mention numerous open problems. This survey is intended to be understandable to mathematicians with no prior knowledge of physics.

preprint2000arXiv

Bounds on the Complex Zeros of (Di)Chromatic Polynomials and Potts-Model Partition Functions

I show that there exist universal constants $C(r) < \infty$ such that, for all loopless graphs $G$ of maximum degree $\le r$, the zeros (real or complex) of the chromatic polynomial $P_G(q)$ lie in the disc $|q| < C(r)$. Furthermore, $C(r) \le 7.963906... r$. This result is a corollary of a more general result on the zeros of the Potts-model partition function $Z_G(q, {v_e})$ in the complex antiferromagnetic regime $|1 + v_e| \le 1$. The proof is based on a transformation of the Whitney-Tutte-Fortuin-Kasteleyn representation of $Z_G(q, {v_e})$ to a polymer gas, followed by verification of the Dobrushin-Kotecký-Preiss condition for nonvanishing of a polymer-model partition function. I also show that, for all loopless graphs $G$ of second-largest degree $\le r$, the zeros of $P_G(q)$ lie in the disc $|q| < C(r) + 1$. Along the way, I give a simple proof of a generalized (multivariate) Brown-Colbourn conjecture on the zeros of the reliability polynomial for the special case of series-parallel graphs.

preprint2012arXiv

Connections between the Sznajd Model with General Confidence Rules and graph theory

The Sznajd model is a sociophysics model, that is used to model opinion propagation and consensus formation in societies. Its main feature is that its rules favour bigger groups of agreeing people. In a previous work, we generalized the bounded confidence rule in order to model biases and prejudices in discrete opinion models. In that work, we applied this modification to the Sznajd model and presented some preliminary results. The present work extends what we did in that paper. We present results linking many of the properties of the mean-field fixed points, with only a few qualitative aspects of the confidence rule (the biases and prejudices modelled), finding an interesting connection with graph theory problems. More precisely, we link the existence of fixed points with the notion of strongly connected graphs and the stability of fixed points with the problem of finding the maximal independent sets of a graph. We present some graph theory concepts, together with examples, and comparisons between the mean-field and simulations in Barabási-Albert networks, followed by the main mathematical ideas and appendices with the rigorous proofs of our claims. We also show that there is no qualitative difference in the mean-field results if we require that a group of size q>2, instead of a pair, of agreeing agents be formed before they attempt to convince other sites (for the mean-field, this would coincide with the q-voter model).

preprint2008arXiv

Matrix Ansatz, lattice paths and rook placements

We give two combinatorial interpretations of the Matrix Ansatz of the PASEP in terms of lattice paths and rook placements. This gives two (mostly) combinatorial proofs of a new enumeration formula for the partition function of the PASEP. Besides other interpretations, this formula gives the generating function for permutations of a given size with respect to the number of ascents and occurrences of the pattern 13-2, the generating function according to weak exceedances and crossings, and the n-th moment of certain q-Laguerre polynomials.

preprint2006arXiv

Fractional diffusion in periodic potentials

Fractional, anomalous diffusion in space-periodic potentials is investigated. The analytical solution for the effective, fractional diffusion coefficient in an arbitrary periodic potential is obtained in closed form in terms of two quadratures. This theoretical result is corroborated by numerical simulations for different shapes of the periodic potential. Normal and fractional spreading processes are contrasted via their time evolution of the corresponding probability densities in state space. While there are distinct differences occurring at small evolution times, a re-scaling of time yields a mutual matching between the long-time behaviors of normal and fractional diffusion.

preprint2011arXiv

Quantum Discord in a spin-1/2 transverse XY Chain Following a Quench

We report a study on the zero-temperature quantum discord as a measure of two-spin correlation of a transverse XY spin chain following a quench across a quantum critical point and investigate the behavior of mutual information, classical correlations and hence of discord in the final state as a function of the rate of quenching. We show that though discord vanishes in the limit of very slow as well as very fast quenching, it exhibits a peak for an intermediate value of the quenching rate. We show that though discord and also the mutual information exhibit a similar behavior with respect to the quenching rate to that of concurrence or negativity following an identical quenching, there are quantitative differences. Our studies indicate that like concurrence, discord also exhibits a power law scaling with the rate of quenching in the limit of slow quenching though it may not be expressible in a closed power law form. We also explore the behavior of discord on quenching linearly across a quantum multicritical point (MCP) and observe a scaling similar to that of the defect density.

preprint2008arXiv

Apparent violation of equipartition of energy in constrained dynamical systems

We propose a planar chain system, which is a simple mechanical system with a constraint. It is composed of $N$ masses connected by $N-1$ light links. It can be considered as a model of a chain system, e.g., a polymer, in which each bond is replaced by a rigid link. The long time average of the kinetic energies of the masses in this model is numerically computed. It is found that the average kinetic energies of the masses are different and masses near the ends of the chain have large energies. We explain that this result is not in contradiction with the principle of equipartition. The apparent violation of equipartition is observed not only in the planar chain systems but also in other constrained systems. We derive an approximate expression for the average kinetic energy, which is in qualitative agreement with the numerical results.

preprint2001arXiv

Unusual corrections to scaling in the 3-state Potts antiferromagnet on a square lattice

At zero temperature, the 3-state antiferromagnetic Potts model on a square lattice maps exactly onto a point of the 6-vertex model whose long-distance behavior is equivalent to that of a free scalar boson. We point out that at nonzero temperature there are two distinct types of excitation: vortices, which are relevant with renormalization-group eigenvalue 1/2; and non-vortex unsatisfied bonds, which are strictly marginal and serve only to renormalize the stiffness coefficient of the underlying free boson. Together these excitations lead to an unusual form for the corrections to scaling: for example, the correlation length diverges as β\equiv J/kT \to \infty according to ξ\sim A e^{2β} (1 + bβe^{-β} + ...), where b is a nonuniversal constant that may nevertheless be determined independently. A similar result holds for the staggered susceptibility. These results are shown to be consistent with the anomalous behavior found in the Monte Carlo simulations of Ferreira and Sokal.

preprint2003arXiv

Chromatic roots are dense in the whole complex plane

I show that the zeros of the chromatic polynomials P_G(q) for the generalized theta graphs Θ^{(s,p)} are, taken together, dense in the whole complex plane with the possible exception of the disc |q-1| < 1. The same holds for their dichromatic polynomials (alias Tutte polynomials, alias Potts-model partition functions) Z_G(q,v) outside the disc |q+v| < |v|. An immediate corollary is that the chromatic zeros of not-necessarily-planar graphs are dense in the whole complex plane. The main technical tool in the proof of these results is the Beraha-Kahane-Weiss theorem on the limit sets of zeros for certain sequences of analytic functions, for which I give a new and simpler proof.

preprint2000arXiv

On the chromatic roots of generalized theta graphs

The generalized theta graph Θ_{s_1,...,s_k} consists of a pair of endvertices joined by k internally disjoint paths of lengths s_1,...,s_k \ge 1. We prove that the roots of the chromatic polynomial $pi(Θ_{s_1,...,s_k},z) of a k-ary generalized theta graph all lie in the disc |z-1| \le [1 + o(1)] k/\log k, uniformly in the path lengths s_i. Moreover, we prove that Θ_{2,...,2} \simeq K_{2,k} indeed has a chromatic root of modulus [1 + o(1)] k/\log k. Finally, for k \le 8 we prove that the generalized theta graph with a chromatic root that maximizes |z-1| is the one with all path lengths equal to 2; we conjecture that this holds for all k.

preprint1999arXiv

Antiferromagnetic Potts Models on the Square Lattice: A High-Precision Monte Carlo Study

We study the antiferromagnetic q-state Potts model on the square lattice for q=3 and q=4, using the Wang-Swendsen-Kotecky (WSK) Monte Carlo algorithm and a powerful finite-size-scaling extrapolation method. For q=3 we obtain good control up to correlation length $ξ\sim 5000$; the data are consistent with $ξ(β) = A e^{2β} β^p (1 + a_1 e^{-β} + ...)$ as $β\to\infty$, with $p \approx 1$. The staggered susceptibility behaves as $χ_{stagg} \sim ξ^{5/3}$. For q=4 the model is disordered ($ξ\ltapprox 2$) even at zero temperature. In appendices we prove a correlation inequality for Potts antiferromagnets on a bipartite lattice, and we prove ergodicity of the WSK algorithm at zero temperature for Potts antiferromagnets on a bipartite lattice.

preprint2016arXiv

Applications of the divergence theorem in Bayesian inference and MaxEnt

Given a probability density $P({\bf x}|{\boldsymbol λ})$, where $\bf x$ represents continuous degrees of freedom and $λ$ a set of parameters, it is possible to construct a general identity relating expectations of observable quantities, which is a generalization of the equipartition theorem in Thermodynamics. In this work we explore some of the consequences of this relation, both in the context of sampling distributions and Bayesian posteriors, and how it can be used to extract some information without the need for explicit calculation of the partition function (or the Bayesian evidence, in the case of posterior expectations). Together with the general family of fluctuation theorems it constitutes a powerful tool for Bayesian/MaxEnt problems.

preprint2016arXiv

Two coupled qubits interacting with a thermal bath: A comparative study of different models

We investigate a system of two interacting qubits having one of them isolated and the other coupled to a thermal reservoir. We consider two different models of system-reservoir interaction: i) a &#34;microscopic&#34; model, in which the master equation is derived taking into account the interaction between the two subsystems (qubits), ii) a naive &#34;phenomenological&#34; model, in which the master equation consists of a dissipative term added to the unitary evolution term. We study the dynamics of quantities such as bipartite entanglement, quantum discord and the linear entropy of the isolated qubit for both strong and weak coupling regimes (qubit-qubit interaction) as well as for different temperatures of the reservoir. We find significant disagreements between the results obtained from the two models even in the weak coupling regime. For instance, we show that according to the phenomenological model, the isolated qubit would approach a maximally mixed state more slowly for higher temperatures (unphysical result), while the microscopic model predicts the opposite behaviour (correct result).

preprint2017arXiv

Fractional Bhatnagar-Gross-Krook kinetic equation

The linear Boltzmann equation approach is generalized to describe fractional superdiffusive transport of the Levy walk type in external force fields. The time distribution between scattering events is assumed to have a finite mean value and infinite variance. It is completely characterized by the two scattering rates, one fractional and a normal one, which defines also the mean scattering rate. We formulate a general fractional linear Boltzmann equation approach and exemplify it with a particularly simple case of the Bohm and Gross scattering integral leading to a fractional generalization of the Bhatnagar, Gross and Krook kinetic equation. Here, at each scattering event the particle velocity is completely randomized and takes a value from equilibrium Maxwell distribution at a given fixed temperature. We show that the retardation effects are indispensable even in the limit of infinite mean scattering rate and argue that this novel fractional kinetic equation provides a viable alternative to the fractional Kramers-Fokker-Planck (KFP) equation by Barkai and Silbey and its generalization by Friedrich et al. based on the picture of divergent mean time between scattering events. The case of divergent mean time is also discussed at length and compared with the earlier results obtained within the fractional KFP.

preprint2017arXiv

A self-contained algorithm for determination of solid-liquid equilibria in an alloy system

We describe a self-contained procedure to evaluate the free energy of liquid and solid phases of an alloy system. The free energy of a single-element solid phase is calculated with thermodynamic integration using the Einstein crystal as the reference system. Then, free energy difference between the solid and liquid phases is calculated by Gibbs-Duhem integration. The central part of our method is the construction of a reversible alchemical path connecting a pure liquid and a liquid alloy to calculate the mixing enthalpy and entropy. We have applied the method to calculate the free energy of solid and liquid phases in the Al-Sm system. The driving force for fcc-Al nucleation in Al-Sm liquid and the melting curve for fcc-Al and Al3Sm are also calculated.

preprint2016arXiv

Equilibrium binding energies from fluctuation theorems and force spectroscopy simulations

Brownian dynamics simulations are used to study the detachment of a particle from a substrate. Although the model is simple and generic, we attempt to map its energy, length and time scales onto a specific experimental system, namely a bead that is weakly bound to a cell and then removed by an optical tweezer. The external driving force arises from the combined optical tweezer and substrate potentials, and thermal fluctuations are taken into account by a Brownian force. The Jarzynski equality and Crooks&#39; fluctuation theorem are applied to obtain the equilibrium free energy difference between the final and initial states. To this end, we sample non--equilibrium work trajectories for various tweezer pulling rates. We argue that this methodology should also be feasible experimentally for the envisioned system. Furthermore, we outline how the measurement of a whole free energy profile would allow the experimentalist to retrieve the unknown substrate potential by means of a suitable deconvolution. The influence of the pulling rate on the accuracy of the results is investigated, and umbrella sampling is used to obtain the equilibrium probability of particle escape for a variety of trap potentials.

preprint2018arXiv

Examples of renormalization group transformations for image sets

Using the example of configurations generated with the worm algorithm for the two-dimensional Ising model, we propose renormalization group (RG) transformations, inspired by the tensor RG, that can be applied to sets of images. We relate criticality to the logarithmic divergence of the largest principal component. We discuss the changes in link occupation under the RG transformation, suggest ways to obtain data collapse, and compare with the two state tensor RG approximation near the fixed point.

preprint2017arXiv

The Memory Function Formalism: A Review

An introduction to the Zwanzig-Mori-Götze-Wölfle memory function formalism (or generalized Drude formalism) is presented. This formalism is used extensively in analyzing the experimentally obtained optical conductivity of strongly correlated systems like cuprates and Iron based superconductors etc. For a broader perspective both the generalised Langevin equation approach and the projection operator approach for the memory function formalism are given. The Götze-Wölfle perturbative expansion of memory function is presented and its application to the computation of the dynamical conductivity of metals is also reviewd. This review of the formalism contains all the mathematical details for pedagogical purposes.

preprint2018arXiv

Teaching renormalization, scaling, and universality with an example from quantum mechanics

We discuss the quantum mechanics of a particle restricted to the half-line $x > 0$ with potential energy $V = α/x^2$ for $-1/4 < α< 0$. It is known that two scale-invariant theories may be defined. By regularizing the near-origin behavior of the potential by a finite square well with variable width $b$ and depth $g$, it is shown how these two scale-invariant theories occupy fixed points in the resulting $(b,g)$-space of Hamiltonians. A renormalization group flow exists in this space and scaling variables are shown to exist in a neighborhood of the fixed points. Consequently, the propagator of the regulated theory enjoys homogeneous scaling laws close to the fixed points. Using renormalization group arguments it is possible to discern the functional form of the propagator for long distances and long imaginary times, thus demonstrating the extent to which fixed points control the behavior of the cut-off theory. By keeping the width fixed and varying only the well depth, we show how the mean position of a bound state diverges as $g$ approaches a critical value. It is proven that the exponent characterizing the divergence is universal in the sense that its value is independent of the choice of regulator. Two classical interpretations of the results are discussed: standard Brownian motion on the real line, and the free energy of a certain one-dimensional chain of particles with prescribed boundary conditions. In the former example, $V$ appears as part of an expectation value in the Feynman-Kac formula. In the latter example, $V$ appears as the background potential for the chain, and the loss of extensivity is dictated by a universal power law.

preprint2016arXiv

Many-body localization and delocalization from the perspective of Integrals of Motion

We study many-body localization (MBL) and delocalization from the perspective of integrals of motion (IOMs). MBL can be understood phenomenologically through the existence of macroscopically many localized IOMs. However, IOMs exist for all many-body systems, and non-localized IOMs determine properties on the ergodic side of the MBL transition too. Here we explore their properties using our method of displacement transformations. We show how different quantities can be calculated using the IOMs as an expansion in the number of operators. For all values of disorder the typical IOMs are localized, suggesting the importance of rare fluctuations in understanding the delocalization transition.

preprint2016arXiv

Universality and critical behavior of the dynamical Mott transition in a system with long-range interactions

We study numerically the voltage-induced breakdown of a Mott insulating phase in a system of charged classical particles with long-range interactions. At half-filling on a square lattice this system exhibits Mott localization in the form of a checkerboard pattern. We find universal scaling behavior of the current at the dynamic Mott insulator-metal transition and calculate scaling exponents corresponding to the transition. Our results are in agreement, up to a difference in universality class, with recent experimental evidence of dynamic Mott transition in a system of interacting superconducting vortices.

preprint2019arXiv

The behaviour of information flow near criticality

Recent experiments have indicated that many biological systems self-organise near their critical point, which hints at a common design principle. While it has been suggested that information transmission is optimized near the critical point, it remains unclear how information transmission depends on the dynamics of the input signal, the distance over which the information needs to be transmitted, and the distance to the critical point. Here we employ stochastic simulations of a driven 2D Ising system and study the instantaneous mutual information and the information transmission rate between a driven input spin and an output spin. The instantaneous mutual information varies non-monotonically with the temperature, but increases monotonically with the correlation time of the input signal. In contrast, the information transmission rate exhibits a maximum as a function of the input correlation time. Moreover, there exists an optimal temperature that maximizes this maximum information transmission rate. It arises from a tradeoff between the necessity to respond fast to changes in the input so that more information per unit amount of time can be transmitted, and the need to respond to reliably. The optimal temperature lies above the critical point, but moves towards it as the distance between the input and output spin is increased.

preprint2018arXiv

Thermodynamics and statistical mechanics of chemically-powered synthetic nanomotors

Colloidal motors without moving parts can be propelled by self-diffusiophoresis, coupling molecular concentration gradients generated by surface chemical reactions to the velocity slip between solid Janus particles and the surrounding fluid solution. The interfacial properties involved in this propulsion mechanism can be described by nonequilibrium thermodynamics and statistical mechanics, disclosing the fundamental role of microreversibility in the coupling between motion and reaction. Among other phenomena, the approach predicts that propulsion by fuel consumption has the reciprocal effect of fuel synthesis by mechanical action.

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