Finite difference method

Abstract: An efficient algorithm is presented for the numerical solution of the Poisson–Boltzmann equation by the finite difference method of successive over-relaxation. Improvements include the rapid estimation of the optimum relaxation parameter, reduction in number of operations per iteration, and vector-oriented array mapping. The algorithm has been incorporated into the electrostatic program DelPhi, reducing the required computing time by between one and two orders of magnitude. As a result the estimation of electrostatic effects such as solvent screening, ion distributions, and solvation energies of small solutes and biological macromolecules in solution, can be performed rapidly, and with minimal computing facilities.

Abstract: Boundary-conforming coordinate transformations are used widely to map a flow region onto a computational space in which a finite-difference solution to the differential flow conservation laws is carried out. This method entails difficulties with maintenance of global conservation and with computation of the local volume element under time-dependent mappings that result from boundary motion. To improve the method, a differential ''geometric conservation law" (GCL) is formulated that governs the spatial volume element under an arbitrary mapping. The GCL is solved numerically along with the flow conservation laws using conservative difference operators. Numerical results are presented for implicit solutions of the unsteady Navier-Stokes equations and for explicit solutions of the steady supersonic flow equations.

Abstract: Boussinesq‐type equations can be used to model the nonlinear transformation of surface waves in shallow water due to the effects of shoaling, refraction, diffraction, and reflection. Different linear dispersion relations can be obtained by expressing the equations in different velocity variables. In this paper, a new form of the Boussinesq equations is derived using the velocity at an arbitrary distance from the still water level as the velocity variable instead of the commonly used depth‐averaged velocity. This significantly improves the linear dispersion properties of the Boussinesq equations, making them applicable to a wider range of water depths. A finite difference method is used to solve the equations. Numerical and experimental results are compared for the propagation of regular and irregular waves on a constant slope beach. The results demonstrate that the new form of the equations can reasonably simulate several nonlinear effects that occur in the shoaling of surface waves from deep to shallow w...