James H. von Brecht

A second order virtual node method for elliptic problems with interfaces and irregular domains

We present a second order accurate, geometrically flexible and easy to implement method for solving the variable coefficient Poisson equation with interfacial discontinuities or on irregular domains, handling both cases with the same approach. We discretize the equations using an embedded approach on a uniform Cartesian grid employing virtual nodes at interfaces and boundaries. A variational method is used to define numerical stencils near these special virtual nodes and a Lagrange multiplier approach is used to enforce jump conditions and Dirichlet boundary conditions. Our combination of these two aspects yields a symmetric positive definite discretization. In the general case, we obtain the standard 5-point stencil away from the interface. For the specific case of interface problems with continuous coefficients, we present a discontinuity removal technique that admits use of the standard 5-point finite difference stencil everywhere in the domain. Numerical experiments indicate second order accuracy in L^~.

PREDICTING PATTERN FORMATION IN PARTICLE INTERACTIONS

Large systems of particles interacting pairwise in d dimensions give rise to extraordinarily rich patterns. These patterns generally occur in two types. On one hand, the particles may concentrate on a co-dimension one manifold such as a sphere (in 3D) or a ring (in 2D). Localized, space-filling, co-dimension zero patterns can occur as well. In this paper, we utilize a dynamical systems approach to predict such behaviors in a given system of particles. More specifically, we develop a nonlocal linear stability analysis for particles uniformly distributed on a d - 1 sphere. Remarkably, the linear theory accurately characterizes the patterns in the ground states from the instabilities in the pairwise potential. This aspect of the theory then allows us to address the issue of inverse statistical mechanics in self-assembly: given a ground state exhibiting certain instabilities, we construct a potential that corresponds to such a pattern.