Search PubMed⌕ Search

Biomedical subjects

G Tarjus

Publications and source records attributed to G Tarjus.

At least 19 recordsLinked to original sources
PubMed2006

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

We present a numerical study of the structural correlations associated with gas adsorption and 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.

Journal Article↗
PubMed2005

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 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.

Journal Article↗
PubMed2004

Mechanisms for gas adsorption and desorption in silica aerogels: the effect of temperature.

We present a theoretical study of the adsorption and desorption mechanisms of fluids in silica aerogels, focusing on the effect of temperature. We adopt a coarse-grained lattice description in which the gel structure is generated by a diffusion-limited cluster-cluster aggregation algorithm and the fluid configurations are computed using local mean-field (i.e., density functional) theory. Our calculations reproduce qualitatively the changes in the shape of the hysteresis loops observed with (4)He in gels of varying porosity. We study in detail the morphology of the condensation and evaporation events that correspond to the irreversible processes (avalanches) which are at the origin of the hysteresis. Depending on porosity and temperature, these avalanches may be localized, involve regions that extend beyond the gel correlation length, or even span the entire sample. This makes difficult the characterization of aerogels based on analyzing sorption isotherms.

Adsorption↗
PubMed2004

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

We present a consistent picture of the respective role of density (rho) and temperature (T) 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 (in the range of experimentally accessible pressures) 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 alpha-relaxation time can be simply described via a single parameter, an effective interaction energy that is characteristic of the high-T liquid regime; as a result, rho does not affect the "fragility" of the glassforming system.

Journal Article↗
PubMed2004

Statistical mechanical description of the parking-lot model for vibrated granular materials.

We apply the statistical mechanical approach proposed by Edwards and co-workers to the parking-lot model, a model that reproduces the main features of the phenomenology of vibrated granular materials. We first build the compactivity-based measure for the case of vanishingly small tapping strength and then generalize the approach to finite tapping strengths by introducing a "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.

Journal Article↗
PubMed2003

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 with disorder-induced out-of-equilibrium phase transitions that differ in adsorption and in desorption. Our results provide insight in the behavior of 4He in silica aerogels.

Journal Article↗
PubMed2002

Langevin dynamics of the Coulomb frustrated ferromagnet: A mode-coupling analysis.

We study the Langevin dynamics of the soft-spin, continuum version of the Coulomb-frustrated Ising ferromagnet. By using the dynamical mode-coupling approximation, supplemented by reasonable approximations for describing the equilibrium static correlation function, and the somewhat improved dynamical self-consistent screening approximation, we find that the system displays a transition from an ergodic to a nonergodic behavior. This transition is similar to that obtained in the idealized mode-coupling theory of glass-forming liquids and in the mean-field generalized spin glasses with one-step replica symmetry breaking. The significance of this result and the relation to the appearance of a complex free-energy landscape are also discussed.

Journal Article↗
PubMed2002

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 glass-forming 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.

Journal Article↗
PubMed2001

Monte Carlo study of the three-dimensional Coulomb frustrated Ising ferromagnet.

We have investigated, by Monte Carlo simulation, the phase diagram of a three-dimensional Ising model with nearest-neighbor ferromagnetic interactions and small, but long-range (Coulombic) antiferromagnetic interactions. We have developed an efficient cluster algorithm and used different lattice sizes and geometries, which allows us to obtain the main characteristics of the temperature-frustration phase diagram. Our finite-size scaling analysis confirms that the melting of the lamellar phases into the paramagnetic phase is driven first order by the fluctuations. Transitions between ordered phases with different modulation patterns are observed in some regions of the diagram, in agreement with a recent mean-field analysis.

Journal Article↗
PubMed2001

Capillary condensation in disordered porous materials: hysteresis versus equilibrium behavior.

We study the interplay between hysteresis and equilibrium behavior in capillary condensation of fluids in mesoporous disordered materials via a mean-field density functional theory of a disordered lattice-gas model. The approach reproduces all major features observed experimentally. We show that the simple van der Waals picture of metastability fails due to the appearance of a complex free-energy landscape with a large number of metastable states. In particular, hysteresis can occur both with and without an underlying equilibrium transition, and thermodynamic consistency is not satisfied along the hysteresis loop.

Journal Article↗
PubMed2001

Thermodynamically self-consistent theory for the Blume-Capel model.

We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.

Journal Article↗
PubMed2000

Adsorption-desorption model and its application to vibrated granular materials.

We investigate both analytically and by numerical simulation the kinetics of a microscopic model of hard rods adsorbing on a linear substrate, a model that is relevant for compaction of granular materials. The computer simulations use an event-driven algorithm that is particularly efficient at very long times. For a small, but finite desorption rate, the system reaches an equilibrium state very slowly, and the long-time kinetics display three successive regimes: an algebraic one where the density varies as 1/t, a logarithmic one where the density varies as 1/ln(t), followed by a terminal exponential approach. The characteristic relaxation time of the final regime, though incorrectly predicted by mean field arguments, can be obtained with a systematic gap-distribution approach. The density fluctuations at equilibrium are also investigated, and the associated time-dependent correlation function exhibits a power law regime followed by a final exponential decay. Finally, we show that denser particle packings can be obtained by varying the desorption rate during the process.

Adsorption↗
PubMed2000

Phase diagram of an ising model with long-range frustrating interactions: A theoretical analysis

We present a theoretical study of the phase diagram of a frustrated Ising model with nearest-neighbor ferromagnetic interactions and long-range (Coulombic) antiferromagnetic interactions. For nonzero frustration, long-range ferromagnetic order is forbidden, and the ground state of the system consists of phases characterized by periodically modulated structures. At finite temperatures, the phase diagram is calculated within the mean-field approximation. Below the transition line that separates the disordered and the ordered phases, the frustration-temperature phase diagram displays an infinite number of "flowers," each flower being made by an infinite number of modulated phases generated by structure combination branching processes. The specificities introduced by the long-range nature of the frustrating interaction and the limitation of the mean-field approach are finally discussed.

Journal Article↗
PubMed1998

A Particle-Level Model of Irreversible Protein Adsorption with a Postadsorption Transition.

Modeling the kinetics of protein adsorption at solid surfaces is needed to predict protein separations, design biosensors, and determine the body's initial response to foreign objects. We develop, at the particle level, a kinetic model that accounts geometrically for the surface blockage due to adsorption and postadsorption conformational (or orientational) transitions. Proteins are modeled as disk-shaped particles of diameter final sigmaalpha that adsorb irreversibly at random positions onto a surface at a rate kac (c is the concentration of protein in the bulk solution). Adsorption occurs only where the surface is empty. Following adsorption, a particle attempts to spread (symmetrically) to a larger diameter final sigmabeta at a rate ks. Spreading only occurs if no overlap with any previously placed particle would result. A set of equations is developed for determining the time evolution of the adsorbed protein density. These predictions are compared to new experimental data for fibronectin onto silica-titania obtained using optical waveguide lightmode spectroscopy (OWLS). We also discuss the general application of this model to experimental data. Copyright 1998 Academic Press.

Journal Article↗