arXiv subjects

G. Tarjus

Publications and source records attributed to G. Tarjus.

At least 37 records · Page 2Linked to original sources

arXiv2008

Equilibrium adsorption on a random site surface

We examine the reversible adsorption of spherical solutes on a random site surface in which the adsorption sites are uniformly and randomly distributed on a substrate. Each site can be occupied by one solute provided that the nearest occupied site is at least one diameter away. The model is characterized by the site density and the bulk phase activity of the adsorbate. We develop a general statistical mechanical description of the model and we obtain exact expressions for the adsorption isotherms in limiting cases of large and small activity and site density, particularly for the one dimensional version of the model. We also propose approximate isotherms that interpolate between the exact results. These theories are in good agreement with numerical simulations of the model in two dimensions.

cond-mat.soft↗

arXiv2007

Numerical study of metastable states in the T=0 RFIM

We study numerically the number of single-spin-flip stable states in the T=0 Random Field Ising Model (RFIM) on random regular graphs of connectivity $z=2$ and $z=4$ and on the cubic lattice. The annealed and quenched complexities (i.e. the entropy densities) of the metastable states with given magnetization are calculated as a function of the external magnetic field. The results show that the appearance of a (disorder-induced) out-of-equilibrium phase transition in the magnetization hysteresis loop at low disorder can be ascribed to a change in the distribution of the metastable states in the field-magnetization plane.

cond-mat.dis-nn↗

arXiv2007

An exactly solvable model of reversible adsorption on a disordered substrate

We consider the reversible adsorption of dimers on a regular lattice, where adsorption occurs on a finite fraction of sites selected randomly. By comparing this system to the pure system where all sites are available for adsorption, we show that when the activity goes to infinity, there exists a mapping between this model and the pure system at the same density. By examining the susceptibilities, we demonstrate that there is no mapping at finite activity. However, when the site density is small or moderate, this mapping exists up to second order in site density. We also propose and evaluate approximate approaches that may be applied to systems where no analytic result is known.

cond-mat.stat-mech↗

arXiv2005

An operational scheme to determine the locally preferred structure of model liquids

We present an operational method to determine the 'locally preferred structure'' of model liquids, a notion often put forward to explain supercooling of a liquid and glass formation. The method relies on finding the global minimum in the (free) energy landscape of clusters of atoms or molecules embedded in a liquid-like environment. We propose a more systematic approach of the external potential mimicking the influence of the surrounding bulk liquid on the cluster than in our previous work [S. Mossa and G. Tarjus, J. Chem. Phys 119, 8069 (2003)]. The procedure is tested on the one-component Lennard-Jones liquid and we recover, without a priori input, that the locally preferred structure is an icosahedral arrangement of thirteen atoms.

cond-mat.dis-nn↗

arXiv2005

Gas adsorption/desorption in silica aerogels: a theoretical study of scattering properties

We present a numerical study of the structural correlations associated to gas adsorption/desorption in silica aerogels in order to provide a theoretical interpretation of scattering experiments. Following our earlier work, we use a coarse-grained lattice-gas description and determine the nonequilibrium behavior of the adsorbed gas within a local mean-field analysis. We focus on the differences between the adsorption and desorption mechanisms and their signature in the fluid-fluid and gel-fluid structure factors as a function of temperature. At low temperature, but still in the regime where the isotherms are continuous, we find that the adsorbed fluid density, during both filling and draining, is correlated over distances that may be much larger than the gel correlation length. In particular, extended fractal correlations may occur during desorption, indicating the existence of a ramified cluster of vapor filled cavities. This also induces an important increase of the scattering intensity at small wave vectors. The similarity and differences with the scattering of fluids in other porous solids such as Vycor are discussed.

cond-mat.dis-nn↗

arXiv2005

Helium condensation in aerogel: avalanches and disorder-induced phase transition

We present a detailed numerical study of the elementary condensation events (avalanches) associated to the adsorption of $^4$He in silica aerogels. We use a coarse-grained lattice-gas description and determine the nonequilibrium behavior of the adsorbed gas within a local mean-field analysis, neglecting thermal fluctuations and activated processes. We investigate the statistical properties of the avalanches, such as their number, size and shape along the adsorption isotherms as a function of gel porosity, temperature, and chemical potential. Our calculations predict the existence of a line of critical points in the temperature-porosity diagram where the avalanche size distribution displays a power-law behavior and the adsorption isotherms have a universal scaling form. The estimated critical exponents seem compatible with those of the field-driven Random Field Ising Model at zero temperature.

cond-mat.dis-nn↗

arXiv2005

The frustration-based approach of supercooled liquids and the glass transition: a review and critical assessment

One of the most spectacular phenomena in physics in terms of dynamical range is the glass transition and the associated slowing down of flow and relaxation with decreasing temperature. That it occurs in many different liquids seems to call for a "universal" theory. In this article, we review one such theoretical approach which is based on the concept of "frustration". Frustration in this context describes an incompatibility between extension of the locally preferred order in a liquid and tiling of the whole space. We provide a critical assessment of what has been achieved within this approach and we discuss the relation with other theories of the glass transition.

cond-mat.stat-mech↗

arXiv2005

Are defect models consistent with the entropy and specific heat of glass-formers?

We show that point-like defect model of glasses cannot explain thermodynamic properties of glass-formers, as for example the excess specific heat close to the glass transition, contrary to the claim of J.P. Garrahan, D. Chandler [Proc. Natl. Acad. Sci. 100, 9710 (2003)]. More general models and approaches in terms of extended defects are also discussed.

cond-mat.stat-mech↗

arXiv2005

Metastable states and T=0 hysteresis in the random-field Ising model on random graphs

We study the ferromagnetic random-field Ising model on random graphs of fixed connectivity z (Bethe lattice) in the presence of an external magnetic field $H$. We compute the number of single-spin-flip stable configurations with a given magnetization m and study the connection between the distribution of these metastable states in the H-m plane (focusing on the region where the number is exponentially large) and the shape of the saturation hysteresis loop obtained by cycling the field between $-\infty$ and $+\infty$ at T=0. The annealed complexity $Σ_A(m,H)$ is calculated for z=2,3,4 and the quenched complexity $Σ_Q(m,H)$ for z=2. We prove explicitly for z=2 that the contour $Σ_Q(m,H)=0$ coincides with the saturation loop. On the other hand, we show that $Σ_A(m,H)$ is irrelevant for describing, even qualitatively, the observable hysteresis properties of the system.

cond-mat.dis-nn↗

arXiv2004

Scaling out the density dependence of the $α$ relaxation in glassforming polymers

We show that the density and temperature dependences of the $α$-relaxation time of several glassforming polymers can be described through a single scaling variable $X=e(ρ)/T$, where $e(ρ)$ is well fitted by a power law $ρ^x$, $x$ being a species-specific parameter. This implies that ``fragility'' is an intrinsic, density-independent property of a glassformer characterizing its super-Arrhenius slowing down of relaxations, and it leads us to propose a modification of the celebrated Angell plot.

cond-mat.soft↗

arXiv2003

Memory and Kovacs effects in the parking-lot model: an approximate statistical-mechanical treatment

The parking-lot model provides a qualitative description of the main features of the phenomenology of granular compaction. We derive here approximate kinetic equations for this model, equations that are based on a $2-$parameter generalization of the statistical-mechanical formalism first proposed by Edwards and coworkers. We show that history-dependent effects, such as memory and Kovacs effects, are captured by this approach.

cond-mat.stat-mech↗

arXiv2003

Disentangling density and temperature effects in the viscous slowing down of glassforming liquids

We present a consistent picture of the respective role of density and temperature in the viscous slowing down of glassforming liquids and polymers. Specifically, based in part upon a new analysis of simulation and experimental data on liquid ortho-terphenyl, we conclude that a zeroth-order description of the approach to the glass transition should be formulated in terms of a temperature-driven super-Arrhenius activated behavior rather than a density-driven congestion or jamming phenomenon. The density plays a role at a quantitative level, but its effect on the viscosity and the structural relaxation time can be simply described via a single parameter, an effective interaction energy that is characteristic of the high temperature liquid regime; as a result, density does not affect the ``fragility'' of the glassforming system.

cond-mat.soft↗

arXiv2003

Edwards-like statistical mechanical description of the parking lot model for vibrated granular materials

We apply the statistical mechanical approach based on the ``flat'' measure proposed by Edwards and coworkers to the parking lot model, a model that reproduces the main features of the phenomenology of vibrated granular materials. We first build the flat measure for the case of vanishingly small tapping strength and then generalize the approach to finite tapping strengths by introducing a new ``thermodynamic'' parameter, the available volume for particle insertion, in addition to the particle density. This description is able to take into account the various memory effects observed in vibrated granular media. Although not exact, the approach gives a good description of the behavior of the parking-lot model in the regime of slow compaction.

cond-mat.stat-mech↗

arXiv2003

Local mean-field study of capillary condensation in silica aerogels

We apply local mean-field (i.e. density functional) theory to a lattice model of a fluid in contact with a dilute, disordered gel network. The gel structure is described by a diffusion-limited cluster aggregation model. We focus on the influence of porosity on both the hysteretic and the equilibrium behavior of the fluid as one varies the chemical potential at low temperature. We show that the shape of the hysteresis loop changes from smooth to rectangular as the porosity increases and that this change is associated to disorder-induced out-of-equilibrium phase transitions that differ on adsorption and on desorption. Our results provide insight in the behavior of $^4$He in silica aerogels.

cond-mat.dis-nn↗

arXiv2003

Locally preferred structure in simple atomic liquids

We propose a method to determine the locally preferred structure of model liquids. This latter is obtained numerically as the global minimum of the effective energy surface of clusters formed by small numbers of particles embedded in a liquid-like environment. The effective energy is the sum of the intra-cluster interaction potential and of an external field that describes the influence of the embedding bulk liquid at a mean-field level. Doing so we minimize the surface effects present in isolated clusters without introducing the full blown geometrical frustration present in bulk condensed phases. We find that the locally preferred structure of the Lennard-Jones liquid is an icosahedron, and that the liquid-like environment only slightly reduces the relative stability of the icosahedral cluster. The influence of the boundary conditions on the nature of the ground-state configuration of Lennard-Jones clusters is also discussed.

cond-mat.soft↗

arXiv2003

Optimum Monte Carlo Simulations: Some Exact Results

We obtain exact results for the acceptance ratio and mean squared displacement in Monte Carlo simulations of the simple harmonic oscillator in $D$ dimensions. When the trial displacement is made uniformly in the radius, we demonstrate that the results are independent of the dimensionality of the space. We also study the dynamics of the process via a spectral analysis and we obtain an accurate description for the relaxation time.

cond-mat.stat-mech↗

arXiv2002

Percolation, depinning, and avalanches in capillary condensation of gases in disordered porous solids

We propose a comprehensive theoretical description of hysteresis in capillary condensation of gases in mesoporous disordered materials. Applying mean-field density functional theory to a coarse-grained lattice-gas model, we show that the morphology of the hysteresis loops is influenced by out-of-equilibrium transitions that are different on filling and on draining. In particular, desorption may be associated to a depinning process and be percolation-like without explicit pore-blocking effects.

cond-mat.dis-nn↗

arXiv2002

Evidence for "fragile" glass-forming behavior in the relaxation of Coulomb frustrated three-dimensional systems

We show by means of a Monte Carlo simulation study that three-dimensional models with long-range frustration display the generic phenomena seen in fragile glassforming liquids. Due to their properties (absence of quenched disorder, physical motivation in terms of structural frustration, and tunable fragility), these systems appear as promising minimal theoretical models for describing the glass transition of supercooled liquids.

cond-mat.stat-mech↗