Pair Approximation Models for Disease Spread

We consider a Susceptible-Infective-Recovered (SIR) model, where the mechanism for the renewal of susceptibles is demographic, on a ring with next nearest neighbour interactions, and a family of correlated pair approximations (CPA), parametrized by a measure of the relative contributions of loops and open triplets of the sites involved in the infection process. We have found that the phase diagram of the CPA, at fixed coordination number, changes qualitatively as the relative weight of the loops increases, from the phase diagram of the uncorrelated pair approximation to phase diagrams typical of one-dimensional systems. In addition, we have performed computer simulations of the same model and shown that while the CPA with a constant correlation parameter cannot describe the global behaviour of the model, a reasonable description of the endemic equilibria as well as of the phase diagram may be obtained by allowing the parameter to depend on the demographic rate.Comment: 6 pages, 3 figures, LaTeX2e+SVJour+AmSLaTeX, NEXTSigmaPhi 2005; metadata title corrected wrt paper titl

Percolation of colloids with distinct interaction sites

We generalize the Flory-Stockmayer theory of percolation to a model of associating (patchy) colloids, which consists of hard spherical particles, having on their surfaces f short-ranged-attractive sites of m different types. These sites can form bonds between particles and thus promote self-assembly. It is shown that the percolation threshold is given in terms of the eigenvalues of a m x m matrix, which describes the recursive relations for the number of bonded particles on the ith level of a cluster with no loops; percolation occurs when the largest of these eigenvalues equals unity. Expressions for the probability that a particle is not bonded to the giant cluster, for the average cluster size and the average size of a cluster to which a randomly chosen particle belongs, are also derived. Explicit results for these quantities are computed for the case f = 3 and m = 2. We show how these structural properties are related to the thermodynamics of the associating system by regarding bond formation as a (equilibrium) chemical reaction. This solution of the percolation problem, combined with Wertheim's thermodynamic first-order perturbation theory, allows the investigation of the interplay between phase behavior and cluster formation for general models of patchy colloids

Wetting of Nematic Liquid Crystals on Crenellated Substrates: A Frank–Oseen Approach

We revisit the wetting of nematic liquid crystals in contact with crenellated substrates, studied previously using the Landau–de Gennes formalism. However, due to computational limitations, the characteristic length scales of the substrate relief considered in that study limited to less than 100 nematic correlation lengths. The current work uses an extended Frank–Oseen formalism, which includes not only the free-energy contribution due to the elastic deformations but also the surface tension contributions and, if disclinations or other orientational field singularities are present, their core contributions. Within this framework, which was successfully applied to the anchoring transitions of a nematic liquid crystal in contact with structured substrates, we extended the study to much larger length scales including the macroscopic scale. In particular, we analyzed the interfacial states and the transitions between them at the nematic–isotropic coexistence