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F. Bonetto

Publications and source records attributed to F. Bonetto.

At least 19 recordsLinked to original sources
arXiv2026

Cooperative adsorption and diffusion trapping induced by AlF3 intercalation in graphite

Graphite's structural and electronic response to molecular intercalation is central to its performance as a carbon-based electrode material, yet the microscopic coupling between subsurface intercalation and surface adsorption remains poorly understood. We present a first-principles investigation of AlF3 adsorption and intercalation in graphite to explain the microscopic origin of a recently observed two-step self-limiting sorption mechanism. Using density functional theory (DFT-D3), we show that a single intercalated AlF3 molecule locally transforms the structure, electronic properties, and diffusion behavior of graphite through a blister-like surface deformation. Comparing pristine graphite with a graphite surface containing a subsurface intercalated molecule, coverage-dependent adsorption energetics reveal a crossover from repulsive lateral interactions to cooperative binding above the blister, driven by local curvature and intercalation-induced charge redistribution. Diffusion-barrier calculations show that the blister simultaneously acts as a kinetic trap, raising diffusion barriers and transitioning surface mobility from a quasi-barrierless to a thermally activated regime. Charge-density difference and Mulliken population analyses identify the intercalant as a stable electronic reservoir that deepens the surface potential landscape, kinetically immobilizing adsorbed species. Together, these results establish a structure-property relationship for intercalation-induced deformation in graphite, offering a quantitative framework for controlling intercalation efficiency in carbon-based energy storage and conversion systems.

cond-mat.mtrl-sci↗
arXiv2014

Quantum Phase Transition in an Interacting Fermionic Chain

We rigorously analyze the quantum phase transition between a metallic and an insulating phase in (non solvable) interacting spin chains or one dimensional fermionic systems. In particular, we prove the persistence of Luttinger liquid behavior in the presence of an interaction even arbitrarily close to the critical point, where the Fermi velocity vanishes and the two Fermi points coalesce. The analysis is based on two different multiscale analysis; the analysis of the first regime provides gain factors which compensate exactly the small divisors due to the vanishing Fermi velocity.

math-ph↗
arXiv2013

Propagation of Chaos for a Thermostated Kinetic Model

We consider a system of N point particles moving on a d-dimensional torus. Each particle is subject to a uniform field E and random speed conserving collisions. This model is a variant of the Drude-Lorentz model of electrical conduction. In order to avoid heating by the external field, the particles also interact with a Gaussian thermostat which keeps the total kinetic energy of the system constant. The thermostat induces a mean-field type of interaction between the particles. Here we prove that, starting from a product measure, in the large N limit, the one particle velocity distribution satisfies a self consistent Vlasov-Boltzmann equation.. This is a consequence of "propagation of chaos", which we also prove for this model.

math-ph↗
arXiv2006

Analyticity of the SRB measure for a class of simple Anosov flows

We consider perturbations of the Hamiltonian flow associated with the geodesic flow on a surface of constant negative curvature. We prove that, under a small perturbation, not necessarely of Hamiltonian character, the SRB measure associated to the flow exists and is analytic in the strength of the perturbation. An explicit example of "thermostatted" dissipative dynamics is constructed.

nlin.CD↗
arXiv2006

Fluctuations relation and external thermostats: an application to granular materials

In this note we discuss a paradigmatic example of interacting particles subject to non conservative external forces and to the action of thermostats consisting of external (finite) reservoirs of particles. We then consider a model of granular materials of interest for experimental tests that had recently attracted lot of attentions. This model can be reduced to the previously discussed example under a number of assumptions, in particular that inelasticity due to internal collisions can be neglected for the purpose of measuring the large deviation functional for entropy production rate. We show that if the restitution coefficient in the granular material model is close to one, then the required assuptions are verified on a specific time scale and we predict a fluctuation relation for the entropy production rate measured on the same time scale.

cond-mat.stat-mech↗
arXiv2006

Chaotic Hypothesis, Fluctuation Theorem and singularities

The chaotic hypothesis has several implications which have generated interest in the literature because of their generality and because a few exact predictions are among them. However its application to Physics problems requires attention and can lead to apparent inconsistencies. In particular there are several cases that have been considered in the literature in which singularities are built in the models: for instance when among the forces there are Lennard-Jones potentials (which are infinite in the origin) and the constraints imposed on the system do not forbid arbitrarily close approach to the singularity even though the average kinetic energy is bounded. The situation is well understood in certain special cases in which the system is subject to Gaussian noise; here the treatment of rather general singular systems is considered and the predictions of the chaotic hypothesis for such situations are derived. The main conclusion is that the chaotic hypothesis is perfectly adequate to describe the singular physical systems we consider, i.e. deterministic systems with thermostat forces acting according to Gauss' principle for the constraint of constant total kinetic energy (``isokinetic Gaussian thermostats''), close and far from equilibrium. Near equilibrium it even predicts a fluctuation relation which, in deterministic cases with more general thermostat forces (i.e. not necessarily of Gaussian isokinetic nature), extends recent relations obtained in situations in which the thermostatting forces satisfy Gauss' principle. This relation agrees, where expected, with the fluctuation theorem for perfectly chaotic systems. The results are compared with some recent works in the literature.

cond-mat.stat-mech↗
arXiv2005

Fluctuation theorem for non-equilibrium relaxational systems driven by external forces

We discuss an extension of the fluctuation theorem to stochastic models that, in the limit of zero external drive, are not able to equilibrate with their environment, extending results presented by Sellitto (cond-mat/9809186). We show that if the entropy production rate is suitably defined, its probability distribution function verifies the Fluctuation Relation with the ambient temperature replaced by a (frequency-dependent) effective temperature. We derive modified Green-Kubo relations. We illustrate these results with the simple example of an oscillator coupled to a nonequilibrium bath driven by an external force. We discuss the relevance of our results for driven glasses and the diffusion of Brownian particles in out of equilibrium media and propose a concrete experimental strategy to measure the low frequency value of the effective temperature using the fluctuations of the work done by an ac conservative field. We compare our results to related ones that appeared in the literature recently.

cond-mat.dis-nn↗
arXiv2004

Fluctuations of the Longest Common Subsequence in the Asymmetric Case of 2- and 3-Letter Alphabets

We investigate the asymptotic standard deviation of the Longest Common Subsequence (LCS) of two independent i.i.d. sequences of length n. The first sequence is drawn from a three letter alphabet {0,1,a}, whilst the second sequence is binary. The main result of this article is that in this asymmetric case, the standard deviation of the length of the LCS is of order square root of n. This confirms Waterman's conjecture for this special case. Our result seems to indicate that in many other situations the order of the standard deviation is also square root of n.

math.CO↗
arXiv2003

Analyticity of the SRB measure of a lattice of coupled Anosov diffeomorphisms of the torus

We consider the "thermodynamic limit"of a d-dimensional lattice of hyperbolic dynamical systems on the 2-torus, interacting via weak and nearest neighbor coupling. We prove that the SRB measure is analytic in the strength of the coupling. The proof is based on symbolic dynamics techniques that allow us to map the SRB measure into a Gibbs measure for a spin system on a (d+1)-dimensional lattice. This Gibbs measure can be studied by an extension (decimation) of the usual "cluster expansion" techniques.

math-ph↗
arXiv2003

Absolute continuity of projected SRB measures of coupled Arnold cat map lattices

We study a d-dimensional coupled map lattice consisting of hyperbolic toral automorphisms (Arnold cat maps) that are weakly coupled by an analytic coupling map. We construct the Sinai-Ruelle-Bowen measure for this system and study its marginals on the tori. We prove they are absolutely continuous with respect to the Lebesgue measure if and only if the coupling satisfies a nondegeneracy condition.

nlin.CD↗
arXiv2002

Properties of Stationary Nonequilibrium States in the Thermostatted Periodic Lorentz Gas II: The many point particles system

We study the stationary nonequilibrium states of N point particles moving under the influence of an electric field E among fixed obstacles (discs) in a two dimensional torus. The total kinetic energy of the system is kept constant through a Gaussian thermostat which produces a velocity dependent mean field interaction between the particles. The current and the particle distribution functions are obtained numerically and compared for small E with analytic solutions of a Boltzmann type equation obtained by treating the collisions with the obstacles as random independent scatterings. The agreement is surprisingly good for both small and large N. The latter system in turn agrees with a self consistent one particle evolution expected to hold in the limit of N going to infinity.

nlin.CD↗
arXiv2000

Properties of Stationary Nonequilibrium States in the Thermostatted Lorentz Gas I: the One Particle System

We study numerically and analytically the properties of the stationary state of a particle moving under the influence of an electric field $\bE$ in a two dimensional periodic Lorentz gas with the energy kept constant by a Gaussian thermostat. Numerically the current appears to be a continuous function of $\bE$ whose derivative varies very irregularly, possibly in a discontinuous manner. We argue for the non differentibility of the current as a function of $\bE$ utilizing a symbolic description of the dynamics based on the discontinuities of the collision map. The decay of correlations and the behavior of the diffusion constant are also investigated.

nlin.CD↗
arXiv2000

Fourier's Law: a Challenge for Theorists

We present a selective overview of the current state of our knowledge (more precisely of ourignorance) regarding the derivation of Fourier's Law, ${\bf J}(\br) =-κ{\bf \nabla}T(\br)$; ${\bf J}$ the heat flux, $T$ the temperature and $κ$, the heat conductivity. This law is empirically well tested for both fluids and crystals, when the temperature varies slowly on the microscopic scale, with $κ$ an intrinsic property which depends only on the system's equilibrium parameters, such as the local temperature and density. There is however at present no rigorous mathematical derivation of Fourier's law and ipso facto of Kubo's formula for $κ$, involving integrals over equilibrium time correlations, for any system (or model) with a deterministic, e.g. Hamiltonian, microscopic evolution.

math-ph↗
arXiv1999

Note on the Kaplan-Yorke dimension and linear transport coefficients

A number of relations between the Kaplan-Yorke dimension, phase space contraction, transport coefficients and the maximal Lyapunov exponents are given for dissipative thermostatted systems, subject to a small external field in a nonequilibrium stationary state. A condition for the extensivity of phase space dimension reduction is given. A new expression for the transport coefficients in terms of the Kaplan-Yorke dimension is derived. Alternatively, the Kaplan-Yorke dimension for a dissipative macroscopic system can be expressed in terms of the transport coefficients of the system. The agreement with computer simulations for an atomic fluid at small shear rates is very good.

cond-mat.stat-mech↗
arXiv1999

On a conjecture for the critical behaviour of KAM tori

At the light of recent results in literature we review a conjecture formulated in Math. Phys. Electron. J. 1 (1995), paper 5, 1--13, about the mechanism of breakdown of invariant sets in KAM problems and the identification of the dominant terms in the perturbative expansion of the conjugating function. We show that some arguments developed therein can be carried out further only in some particular directions, so limiting a possible future research program, and that the mechanism of break down of invariant tori has to be more complicated than as conjectured in the quoted paper.

chao-dyn↗
arXiv1998

(Global and Local) Fluctuations of Phase Space Contraction in Deterministic Stationary Non-equilibrium

We studied numerically the validity of the fluctuation theorem, introduced by Evans,Cohen and Morris and proved by Gallavotti and Cohen, for a 2-dimensional system of particles maintained in a steady shear flow by Maxwell daemon boundary conditions (see Chernov and Lebowitz). The theorem was found to hold if one considers the total phase space contraction $σ$ occuring at collisions with both walls: $σ=σ^\su+σ^\giu$. An attempt to extend it to more local quantities $σ^\su$ and $σ^\giu$, corresponding to the collisions with the top or bottom wall only, gave negative results. The time decay of the correlations in $σ^{\su,\giu}$ was very slow compared to that of $σ$.

chao-dyn↗
arXiv1998

On the Validity of the Conjugate Pairing Rule for Lyapunov Exponents

For Hamiltonian systems subject to an external potential, which in the presence of a thermostat will reach a nonequilibrium stationary state, Dettmann and Morriss proved a strong conjugate pairing rule (SCPR) for pairs of Lyapunov exponents in the case of isokinetic (IK) stationary states which have a given kinetic energy. This SCPR holds for all initial phases of the system, all times t and all numbers of particles N. This proof was generalized by Wojtkovski and Liverani to include hard interparticle potentials. A geometrical reformulation of those results is presented. The present paper proves numerically, using periodic orbits for the Lorentz gas, that SCPR cannot hold for isoenergetic (IE) stationary states, which have a given total internal energy. In that case strong evidence is obtained for CPR to hold for large N and t, where it can be conjectured that the larger N, the smaller t will be. This suffices for statistical mechanics.

chao-dyn↗