Correlation factor for diffusion in cubic crystals with solute-vacancy interactions of arbitrary range

A formalism using a double Laplace Fourier transform of the transport equation yields the return probabilities of the vacancy in the vicinity of the tracer atom in the presence of solute-vacancy interactions of arbitrary extension. Studying model cases, it is shown that taking into account the full range of the interaction may change noticeably the correlation factor. The latter depends tightly on the pattern of migration barriers which is chosen to describe the vacancy jumps around the tracer atom. A thorough ab initio evaluation of all barriers is rarely available in the literature. It is shown that approximations often used to overcome this lack of information can be misleading. The examination of dilute systems recently studied shows that the interactions within the first three neighbour shells dictate the final value with a good precision. The main improvement of the modelling comes from dropping the restrictive assumption which impose an equal value to the jump frequencies leading to a dissociation of the solute-vacancy pair.Comment: 45 pages; 8 figure

Nucleation in hydrophobic cylindrical pores : a lattice model

We consider the nucleation process associated with capillary condensation of a vapor in a hydrophobic cylindrical pore (capillary evaporation). The liquid-vapor transition is described within the framework of a simple lattice model. The phase properties are characterized both at the mean-field level and using Monte-Carlo simulations. The nucleation process for the liquid to vapor transition is then specifically considered. Using umbrella sampling techniques, we show that nucleation occurs through the condensation of an asymmetric vapor bubble at the pore surface. Even for highly confined systems, good agreement is found with macroscopic considerations based on classical nucleation theory. The results are discussed in the context of recent experimental work on the extrusion of water in hydrophobic pores

Tasting edge effects

We show that the baking of potato wedges constitutes a crunchy example of edge effects, which are usually demonstrated in electrostatics. A simple model of the diffusive transport of water vapor around the potato wedges shows that the water vapor flux diverges at the sharp edges in analogy with its electrostatic counterpart. This increased evaporation at the edges leads to the crispy taste of these parts of the potatoes.Comment: to appear in American Journal of Physic

Slow Kinetics of Capillary Condensation in Confined Geometry: Experiment and Theory

When two solid surfaces are brought in contact, water vapor present in the ambient air may condense in the region of the contact to form a liquid bridge connecting the two surfaces : this is the so-called capillary condensation. This phenomenon has drastic consequences on the contact between solids, modifying the macroscopic adhesion and friction properties. In this paper, we present a survey of the work we have performed both experimentally and theoretically to understand the microscopic foundations of the kinetics of capillary condensation. From the theoretical point of view, we have computed the free energy barrier associated with the condensation of the liquid from the gas in a confined system. These calculations allow to understand the existence of very large hysteresis, which is often associated with capillary condensation. This results are compatible with experimental results obtained with a surface forces apparatus in a vapor atmosphere, showing a large hysteris of the surface energy of two parallel planes as a function of their distance. In the second part, we present some experiments on the influence of humidity on the avalanche angle of granular media. We show that the ageing in time of this avalanche angle can be explained by the slow kinetics of capillary condensation in a random confined geometry.Comment: Special Volume of Colloids and Surfaces A,Proceedings of Nanocapillarity: Wetting of Heterogeneous Surfaces and Porous Solids,June 25-27, 2001, TRI/Princeton International Workshop, Editor: Alexander V. Neimar

Shear localization in a model glass

Using molecular dynamics simulations, we show that a simple model of a glassy material exhibits the shear localization phenomenon observed in many complex fluids. At low shear rates, the system separates into a fluidized shear-band and an unsheared part. The two bands are characterized by a very different dynamics probed by a local intermediate scattering function. Furthermore, a stick-slip motion is observed at very small shear rates. Our results, which open the possibility of exploring complex rheological behavior using simulations, are compared to recent experiments on various soft glasses.Comment: 4 pages, 4 figures (5 figure files

Shear-induced crystallization of a dense rapid granular flow: hydrodynamics beyond the melting point?

We investigate shear-induced crystallization in a very dense flow of mono-disperse inelastic hard spheres. We consider a steady plane Couette flow under constant pressure and neglect gravity. We assume that the granular density is greater than the melting point of the equilibrium phase diagram of elastic hard spheres. We employ a Navier-Stokes hydrodynamics with constitutive relations all of which (except the shear viscosity) diverge at the crystal packing density, while the shear viscosity diverges at a smaller density. The phase diagram of the steady flow is described by three parameters: an effective Mach number, a scaled energy loss parameter, and an integer number m: the number of half-oscillations in a mechanical analogy that appears in this problem. In a steady shear flow the viscous heating is balanced by energy dissipation via inelastic collisions. This balance can have different forms, producing either a uniform shear flow or a variety of more complicated, nonlinear density, velocity and temperature profiles. In particular, the model predicts a variety of multi-layer two-phase steady shear flows with sharp interphase boundaries. Such a flow may include a few zero-shear (solid-like) layers, each of which moving as a whole, separated by fluid-like regions. As we are dealing with a hard sphere model, the granulate is fluidized within the "solid" layers: the granular temperature is non-zero there, and there is energy flow through the boundaries of the "solid" layers. A linear stability analysis of the uniform steady shear flow is performed, and a plausible bifurcation diagram of the system, for a fixed m, is suggested. The problem of selection of m remains open.Comment: 11 pages, 7 eps figures, to appear in PR