Efficient algebraic multigrid for migration–diffusion–convection–reaction systems arising in electrochemical simulations

The article discusses components and performance of an algebraic multigrid (AMG) preconditioner for the fully coupled multi-ion transport and reaction model (MITReM) with nonlinear boundary conditions, important for electrochemical modeling. The governing partial differential equations (PDEs) are discretized in space by a combined finite element and residual distribution method. Solution of the discrete system is obtained by means of a Newton-based nonlinear solver, and an AMG-preconditioned BICGSTAB Krylov linear solver. The presented AMG preconditioner is based on so-called point-based classical AMG. The linear solver is compared to a standard direct and several one-level iterative solvers for a range of geometries and chemical systems with scientific and industrial relevance. The results indicate that point-based AMG methods, carefully designed, are an attractive alternative to more commonly employed numerical methods for the simulation of complex electrochemical processes.     

The Linear KdV Equation with an Interface

The interface problem for the linear Korteweg–de Vries (KdV) equation in one-dimensional piecewise homogeneous domains is examined by constructing an explicit solution in each domain. The location of the interface is known and a number of compatibility conditions at the boundary are imposed. We provide an explicit characterization of sufficient interface conditions for the construction of a solution using Fokas’s Unified Transform Method. The problem and the method considered here extend that of earlier papers to problems with more than two spatial derivatives.     

Relaxation effect on the Onsager coefficients of mixed strong electrolytes in the mean spherical approximation

The Fuoss-Onsager continuity equations are solved by using the equilibrium pair distribution functions of the mean spherical approximation in the case of equal diameters. An analytical expression is obtained for the relaxation effect on the Onsager coefficients of mixed strong electrolytes. This work also extends the existing expressions for the conductivity of binary and ternary electrolytes to any number of ions.     

Copper and iron interactions with angiotensin-converting enzyme inhibitors. A study by fast-atom bombardment tandem mass spectrometry

Fast atom bombardment, combined with high-energy collision-induced tandem mass spectrometry, has been used to investigate gas-phase metal-ion interactions with captopril, enalaprilat and lisinopril, all angiotensin-converting enzyme inhibitors.Suggestions for the location of metal-binding sites are presented. For captopril, metal binding occurs most likely at both the sulphur and the nitrogen atom. For enalaprilat and lisinopril, binding preferably occurs at the amine nitrogen. Copyright 1999 John Wiley & Sons, Ltd.     

Multidimensional upwind schemes for the shallow water equations

A multidimensional discretisation of the shallow water equations governing unsteady free-surface flow is proposed. The method, based on a residual distribution discretisation, relies on a characteristic eigenvector decomposition of each cell residual, and the use of appropriate distribution schemes. For uncoupled equations, multidimensional convection schemes on compact stencils are used, while for coupled equations, either system distribution schemes such as the Lax–Wendroff scheme or scalar schemes may be used. For steady subcritical flows, the equations can be partially diagonalised into a purely convective equation of hyperbolic nature, and a set of coupled equations of elliptic nature. The multidimensional discretisation, which is second-order-accurate at steady state, is shown to be superior to the standard Lax–Wendroff discretisation. For steady supercritical flows, the equations can be fully diagonalised into a set of convective equations corresponding to the steady state characteristics. Discontinuities such as hydraulic jumps, are captured in a sharp and non-oscillatory way. For unsteady flows, the characteristic equations remain coupled. An appropriate treatment of the coupling terms allows the discretisation of these equations at the scalar level. Although presently only first-order-accurate in space and time, the classical dam-break problem demonstrates the validity of the approach. © 1998 John Wiley & Sons, Ltd.     

New precision limit on the strange vector form factors of the proton

The parity-violating cross-section asymmetry in the elastic scattering of polarized electrons from unpolarized protons has been measured at a four-momentum transfer squared Q2 = 0.624 GeV2 and beam energy E(b) = 3.48 GeV to be A(PV) = -23.80 ± 0.78(stat) ± 0.36(syst) parts per million. This result is consistent with zero contribution of strange quarks to the combination of electric and magnetic form factors G(E)(s) + 0.517G(M)(s) = 0.003 ± 0.010(stat) ± 0.004(syst) ± 0.009(ff), where the third error is due to the limits of precision on the electromagnetic form factors and radiative corrections. With this measurement, the world data on strange contributions to nucleon form factors are seen to be consistent with zero and not more than a few percent of the proton form factors.     

On the nonintegrability of equations for long- and short-wave interactions

We examine the integrability of two models used for the interaction of long and short waves in dispersive media. One is more classical but arguably cannot be derived from the underlying water wave equations, while the other one was recently derived. We use the method of Zakharov and Schulman to attempt to construct conserved quantities for these systems at different orders in the magnitude of the solutions. The coupled KdV–NLS model is shown to be nonintegrable, due to the presence of fourth-order resonances. A coupled real KdV–complex KdV system is shown to suffer the same fate, except for three special choices of the coefficients, where higher-order calculations or a different approach are necessary to conclude integrability or the absence thereof.     

Pole Dynamics for Elliptic Solutions of the Korteweg-deVries Equation

The real, nonsingular elliptic solutions of the Korteweg-de Vries equation are studied through the time dynamics of their poles in the complex plane. The dynamics of these poles is governed by a dynamical system with a constraint. This constraint is solvable for any finite number of poles located in the fundamental domain of the elliptic function, often in many different ways. Special consideration is given to those elliptic solutions that have a real nonsingular soliton limit. This revised version was published online in July 2006 with corrections to the Cover Date.