Three-dimensional matched interface and boundary (MIB) method for treating geometric singularities

This paper reports the three-dimensional (3D) generalization of our previous 2D higher-order matched interface and boundary (MIB) method for solving elliptic equations with discontinuous coefficients and non-smooth interfaces. New MIB algorithms that make use of two sets of interface jump conditions are proposed to remove the critical acute angle constraint of our earlier MIB scheme for treating interfaces with sharp geometric singularities, such as sharp edges, sharp wedges and sharp tips. The resulting 3D MIB schemes are of second-order accuracy for arbitrarily complex interfaces with sharp geometric singularities, of fourth-order accuracy for complex interfaces with moderate geometric singularities, and of sixth-order accuracy for curved smooth interfaces. A systematical procedure is introduced to make the MIB matrix optimally symmetric and banded by appropriately choosing auxiliary grid points. Consequently, the new MIB linear algebraic equations can be solved with fewer number of iterations. The proposed MIB method makes use of Cartesian grids, standard finite difference schemes, lowest order interface jump conditions and fictitious values. The interface jump conditions are enforced at each intersecting point of the interface and mesh lines to overcome the staircase phenomena in finite difference approximation. While a pair of fictitious values are determined along a mesh at a time, an iterative procedure is proposed to determine all the required fictitious values for higher-order schemes by repeatedly using the lowest order jump conditions. A variety of MIB techniques are developed to overcome geometric constraints. The essential strategy of the MIB method is to locally reduce a 2D or a 3D interface problem into 1D-like ones. The proposed MIB method is extensively validated in terms of the order of accuracy, the speed of convergence, the number of iterations and CPU time. Numerical experiments are carried out to complex interfaces, including the molecular surfaces of a protein, a missile interface, and van der Waals surfaces of intersecting spheres. 2007 Elsevier Inc. All rights reserved.