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Biomedical subjects

I Pagonabarraga

Publications and source records attributed to I Pagonabarraga.

12 recordsLinked to original sources
PubMed2006

A mesoscopic model for (de)wetting.

We present a mesoscopic model for simulating the dynamics of a non-volatile liquid on a solid substrate. The wetting properties of the solid can be tuned from complete wetting to total non-wetting. This model opens the way to study the dynamics of drops and liquid thin films at mesoscopic length scales of the order of the nanometer. As particular applications, we analyze the kinetics of spreading of a liquid drop wetting a solid substrate and the dewetting of a liquid film on a hydrophobic substrate. In all these cases, very good agreement is found between simulations and theoretical predictions.

Biomedical Engineering↗
PubMed2006

A Lattice-Boltzmann model for suspensions of self-propelling colloidal particles.

We present a Lattice-Boltzmann method for simulating self-propelling (active) colloidal particles in two dimensions. Active particles with symmetric and asymmetric force distribution on their surface are considered. The velocity field generated by a single active particle, changing its orientation randomly, and the different time scales involved are characterized in detail. The steady-state speed distribution in the fluid, resulting from the activity, is shown to deviate considerably from the equilibrium distribution.

Algorithms↗
PubMed2005

Universality of fluctuation-dissipation ratios: the ferromagnetic model.

We calculate analytically the fluctuation-dissipation ratio (FDR) for Ising ferromagnets quenched to criticality, both for the long-range model and its short-range analog in the limit of large dimension. Our exact solution shows that, for both models, if the system is unmagnetized while if the initial magnetization is nonzero. This indicates that two different classes of critical coarsening dynamics need to be distinguished depending on the initial conditions, each with its own nontrivial FDR. We also analyze the dependence of the FDR on whether local and global observables are used. These results clarify how a proper local FDR (and the corresponding effective temperature) should be defined in long-range models in order to avoid spurious inconsistencies and maintain the expected correspondence between local and global results; global observables turn out to be far more robust tools for detecting nonequilibrium FDRs.

Journal Article↗
PubMed2005

Colloidal jamming at interfaces: a route to fluid-bicontinuous gels.

Colloidal particles or nanoparticles, with equal affinity for two fluids, are known to adsorb irreversibly to the fluid-fluid interface. We present large-scale computer simulations of the demixing of a binary solvent containing such particles. The newly formed interface sequesters the colloidal particles; as the interface coarsens, the particles are forced into close contact by interfacial tension. Coarsening is markedly curtailed, and the jammed colloidal layer seemingly enters a glassy state, creating a multiply connected, solidlike film in three dimensions. The resulting gel contains percolating domains of both fluids, with possible uses as, for example, a microreaction medium.

Journal Article↗
PubMed2005

Physical and computational scaling issues in lattice Boltzmann simulations of binary fluid mixtures.

We describe some scaling issues that arise when using lattice Boltzmann (LB) methods to simulate binary fluid mixtures--both in the presence and absence of colloidal particles. Two types of scaling problem arise: physical and computational. Physical scaling concerns how to relate simulation parameters to those of the real world. To do this effectively requires careful physics, because (in common with other methods) LB cannot fully resolve the hierarchy of length, energy and time-scales that arise in typical flows of complex fluids. Care is needed in deciding what physics to resolve and what to leave unresolved, particularly when colloidal particles are present in one or both of two fluid phases. This influences steering of simulation parameters such as fluid viscosity and interfacial tension. When the physics is anisotropic (for example, in systems under shear) careful adaptation of the geometry of the simulation box may be needed; an example of this, relating to our study of the effect of colloidal particles on the Rayleigh-Plateau instability of a fluid cylinder, is described. The second and closely related set of scaling issues are computational in nature: how do you scale-up simulations to very large lattice sizes? The problem is acute for systems undergoing shear flow. Here one requires a set of blockwise co-moving frames to the fluid, each connected to the next by a Lees-Edwards like boundary condition. These matching planes lead to small numerical errors whose cumulative effects can become severe; strategies for minimizing such effects are discussed.

Complex Mixtures↗
PubMed2005

Hydrodynamic induced deformation and orientation of a microscopic elastic filament.

We describe simulations of an elastic filament immersed in a fluid and subjected to a body force. The coupling between the fluid flow and the friction that the filament experiences induces bending and alignment perpendicular to the force. With increasing force there are four shape regimes, ranging from slight distortion to an unsteady tumbling motion. We also find marginally stable structures. The instability of these shapes and the alignment are explained by induced bending and nonlocal hydrodynamic interactions. These effects are experimentally relevant for stiff microfilaments.

Actin Cytoskeleton↗
PubMed2001

Randomly driven granular fluids: collisional statistics and short scale structure.

We present a molecular-dynamics and kinetic theory study of granular material, modeled by inelastic hard disks, fluidized by a random driving force. The focus is on collisional averages and short-distance correlations in the nonequilibrium steady state, in order to analyze in a quantitative manner the breakdown of molecular chaos, i.e., factorization of the two-particle distribution function, f((2))(x(1),x(2)) approximately chif((1))(x(1))f((1))(x(2)) in a product of single-particle ones, where x(i)=[r(i),v(i)] with i=1,2 and chi represents the position correlation. We have found that molecular chaos is only violated in a small region of the two-particle phase space [x(1),x(2)], where there is a predominance of grazing collisions. The size of this singular region grows with increasing inelasticity. The existence of particle- and noise-induced recollisions magnifies the departure from mean-field behavior. The implications of this breakdown in several physical quantities are explored.

Journal Article↗
PubMed2000

Local size segregation in polydisperse hard sphere fluids

The structure of polydisperse hard sphere fluids, in the presence of a wall, is studied by the Rosenfeld density functional theory. Within this approach, the local excess free energy depends on only four combinations of the full set of density fields. The case of continuous polydispersity thereby becomes tractable. We predict, generically, an oscillatory size segregation close to the wall, and connect this, by a perturbation theory for narrow distributions, with the reversible work for changing the size of one particle in a monodisperse reference fluid.

Journal Article↗