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Boundary-Element Methods

The basic principle behind the BEM is to convert the partial differential equation into an integral equation using the classical methods of applied mathematics. This technique requires the Green function associated with the differential operator (in this case, the Laplace operator). After the appropriate manipulations, (70) is obtained  [Pg.23]

Since for the sake of simplicity we have limited our domain (electrolyte) to two-dimensional geometries, the integrals in (70) are in fact line integrals. In the three-dimensional case these become surface integrals. Furthermore, the variable of integration is p, while p is held fixed. [Pg.23]

The coefficient c p) in (70) depends on the location of / = (x, y) where the potential pix, y) is being evaluated. This value is [Pg.23]

In the BEM, the boundary is divided into panels (patches or elements on the boundary) as depicted in Fig. 16. On these panels. [Pg.23]

IMPLEMENTATION OF THE FINITE-DIFFERENCE METHOD IN CATHODIC PROTECTION [Pg.24]

Do not worry about your difficulties in Mathematics. I can assure you mine are still greater. [Pg.511]


Fulian Q, Fisher A C and Denuault G 1999 Applioations of the boundary element method in eleotroohemistry soanning eleotroohemioal miorosoopy J. Phys. Chem. B 103 4387... [Pg.1951]

Ire boundary element method of Kashin is similar in spirit to the polarisable continuum model, lut the surface of the cavity is taken to be the molecular surface of the solute [Kashin and lamboodiri 1987 Kashin 1990]. This cavity surface is divided into small boimdary elements, he solute is modelled as a set of atoms with point polarisabilities. The electric field induces 1 dipole proportional to its polarisability. The electric field at an atom has contributions from lipoles on other atoms in the molecule, from polarisation charges on the boundary, and where appropriate) from the charges of electrolytes in the solution. The charge density is issumed to be constant within each boundary element but is not reduced to a single )oint as in the PCM model. A set of linear equations can be set up to describe the electrostatic nteractions within the system. The solutions to these equations give the boundary element harge distribution and the induced dipoles, from which thermodynamic quantities can be letermined. [Pg.614]

How can Equation (11.79) be solved Before computers were available only simple ihapes could be considered. For example, proteins were modelled as spheres or ellipses Tanford-Kirkwood theory) DNA as a uniformly charged cylinder and membranes as planes (Gouy-Chapman theory). With computers, numerical approaches can be used to solve the Poisson-Boltzmann equation. A variety of numerical methods can be employed, including finite element and boundary element methods, but we will restrict our discussion to the finite difference method first introduced for proteins by Warwicker and Watson [Warwicker and Watson 1982]. Several groups have implemented this method here we concentrate on the work of Honig s group, whose DelPhi program has been widely used. [Pg.620]

Subdivision or discretization of the flow domain into cells or elements. There are methods, called boundary element methods, in which the surface of the flow domain, rather than the volume, is discretized, but the vast majority of CFD work uses volume discretization. Discretization produces a set of grid lines or cuives which define a mesh and a set of nodes at which the flow variables are to be calculated. The equations of motion are solved approximately on a domain defined by the grid. Curvilinear or body-fitted coordinate system grids may be used to ensure that the discretized domain accurately represents the true problem domain. [Pg.673]

The continuum treatment of electrostatics can also model salt effects by generalizing the Poisson equation (12) to the Poisson-Boltzmann equation. The finite difference approach to solving Eq. (12) extends naturally to treating the Poisson-Boltzmann equation [21], and the boundary element method can be extended as well [19]. [Pg.100]

G. Dziuk. A boundary element method for curvature flow. Application to crystal growth. In J. E. Taylor, ed. Computational Crystal Growers Workshop, AMS Selected Lectures in Mathematics. Providence, Rhode Island American Mathematical Society, 1992, p. 34 A. Schmidt. Computation of three dimensional dendrites with finite elements. J Comput Phys 125 293, 1996. [Pg.917]

Wrobel, L. C., The Boundary Element Method, Wiley, New York (2002). [Pg.250]

Demming, F., Jersch, J., Dickmatm, K.and Geshev. P. I. (1998) Calculation of the field enhancement on laser-illuminated scanning probe tips by the boundary element method. Appl. Rhys. B, 66, 593-598. [Pg.17]

To calculate free energies of solvation for several organic molecules, Fortunelli and Tomasi applied the boundary element method for the reaction field in DFT/SCRF framework173. The authors demonstrated that the DFT/SCRF results obtained with the B88 exchange functional and with either the P86 or the LYP correlation functional are significantly closer to the experimental ones than the ones steming from the HF/SCRF calculations. The authors used the same cavity parameters for the HF/SCRF and DFT/SCRF calculations, which makes it possible to attribute the apparent superiority of the DFT/SCRF results to the density functional component of the model. The boundary element method appeared to be very efficient computationally. The DFT/SCRF calculations required only a few percent more CPU time than the corresponding gas-phase SCF calculations. [Pg.114]

The subject of liquid jet and sheet atomization has attracted considerable attention in theoretical studies and numerical modeling due to its practical importance.[527] The models and methods developed range from linear stability models to detailed nonlinear numerical models based on boundary-element methods 528 5291 and Volume-Of-Fluid (VOF) method. 530 ... [Pg.320]

Resistance functions have been evaluated in numerical compu-tations15831 for low Reynolds number flows past spherical particles, droplets and bubbles in cylindrical tubes. The undisturbed fluid may be at rest or subject to a pressure-driven flow. A spectral boundary element method was employed to calculate the resistance force for torque-free bodies in three cases (a) rigid solids, (b) fluid droplets with viscosity ratio of unity, and (c) bubbles with viscosity ratio of zero. A lubrication theory was developed to predict the limiting resistance of bodies near contact with the cylinder walls. Compact algebraic expressions were derived to accurately represent the numerical data over the entire range of particle positions in a tube for all particle diameters ranging from nearly zero up to almost the tube diameter. The resistance functions formulated are consistent with known analytical results and are presented in a form suitable for further studies of particle migration in cylindrical vessels. [Pg.338]

Liu YJ, NishimuraN, Otani Y (2005). Large-scale modeling of carbon-nanotube composites by a fast multipole boundary element method. Comput. Mater. Sci. 34 173-187. [Pg.218]

Wiersig, J., 2003, Boundary element method for resonances in dielectric microcavities, J. Opt. A Pure Appl. Opt. 5 53-60. [Pg.70]

T. Lu, and D. Yevick, Comparative Evaluation of a Novel Series Approximation for Electromagnetic Fields at Dielectric Comers With Boundary Element Method Applications, Journa/ of Lightwave Technology 22, 1426-1432 (2004). [Pg.278]

Field models estimate the fire environment in a space by numerically solving the conservation equations (i.e., momentum, mass, energy, diffusion, species, etc.) as a result of afire. This is usually accomplished by using a finite difference, finite element, or boundary element method. Such methods are not unique to fire protection they are used in aeronautics, mechanical engineering, structural mechanics, and environmental engineering. Field models divide a space into a large number of elements and solve the conservation equations within each element. The greater the number of elements, the more detailed the solution. The results are three-dimensional in nature and are very refined when compared to a zone-type model. [Pg.416]

Control volume method Finite element method Boundary element method and analytic element method Designed for conditions with fluxes across interfaces of small, well-mixed elements - primarily used in fluid transport Extrapolates parameters between nodes. Predominant in the analysis of solids, and sometimes used in groundwater flow. Functions with Laplace s equation, which describes highly viscous flow, such as in groundwater, and inviscid flow, which occurs far from boundaries. [Pg.176]

P.W. Partridge, C.A. Brebbia, and L.C. Wrobel. The dual reciprocity boundary element method. Computational Mechanics, Southampton, 1991. [Pg.384]


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