Spatial derivatives

The higher-order bulk contribution to the nonlmear response arises, as just mentioned, from a spatially nonlocal response in which the induced nonlinear polarization does not depend solely on the value of the fiindamental electric field at the same point. To leading order, we may represent these non-local tenns as bemg proportional to a nonlinear response incorporating a first spatial derivative of the fiindamental electric field. Such tenns conespond in the microscopic theory to the inclusion of electric-quadnipole and magnetic-dipole contributions. The fonn of these bulk contributions may be derived on the basis of synnnetry considerations. As an example of a frequently encountered situation, we indicate here the non-local polarization for SFIG in a cubic material excited by a plane wave (co) ... 

Discretization of the governing equations. In this step, the exact partial differential equations to be solved are replaced by approximate algebraic equations written in terms of the nodal values of the dependent variables. Among the numerous discretization methods, finite difference, finite volume, and finite element methods are the most common. Tlxe finite difference method estimates spatial derivatives in terms of the nodal values and spacing between nodes. The governing equations are then written in terms of... 

Isopleth a line drawn on a map through all points having the same numeric value. Isotropic a situation where a quantity (or its spatial derivatives) is independent of position or direction. 

This is the general linear equation of motion for an almost planar and rough one-dimensional phase boundary. The fourth-order term in the spatial derivative acts as a stabilizer just like the second-order term, and is not really crucial here. 

The first part of Eq. (89), proportional to the inverse viscosity r] of the liquid film, describes a creeping motion of a thin film flow on the surface. In the (almost) dry area the contributions of both terms to the total flow and evaporation of material can basically be neglected. Inside the wet area we can, to lowest order, linearize h = hoo[ + u x,y)], where u is now a small deviation from the asymptotic equilibrium value for h p) in the liquid. Since Vh (p) = 0 the only surviving terms are linear in u and its spatial derivatives Vw and Au. Therefore, inside the wet area, the evolution equation for the variable part u of the height variable h becomes... 

The emergent soliton structures arc obviously very reminiscent of the propagating structures normally associated with one-dimensional class c4 elementary CA, as well as the glider -like structures appearing in Conway s Game of Life (section 3.4.4). There are two noteworthy differences between these systems, however (aside from the fact that we are looking at the spatial derivative here as opposed to a... 

Similar expressions can be derived for second spatial derivatives. The final form of the equations that result after a generalized coordinate transformation depends on the degree of differentiation by using the chain rule, i.e. on the treatment of the metrics x, x, and y. For more details we refer to the... 

Assuming local thermal equilibrium, i.e. the equality of the averaged fluid and solid temperature, a transport equation for the average temperature results which still contains and integral over the fluctuating component. In order to close the equation, a relationship between the fluctuating component and the spatial derivatives of the average temperature of the form... 

Estimation of parameters present in partial differential equations is a very complex issue. Quite often by proper discretization of the spatial derivatives we transform the governing PDEs into a large number of ODEs. Hence, the problem can be transformed into one described by ODEs and be tackled with similar techniques. However, the fact that in such cases we have a system of high dimensionality requires particular attention. Parameter estimation for systems described by PDEs is examined in Chapter 11. 

If for example we discretize the region over which the PDE is to be solved into M grid blocks, use of finite differences (or any other discretization scheme) to approximate the spatial derivatives in Equation 10.1 yields the following system of ODEs ... 

Calculation of the energy and forces acting on a molecular system requires knowledge of the magnitude of the inducible dipoles. The forces associated with the dipoles (spatial derivatives of the potential) [13], can be computed from Eq. (9-12), and on atomic site k are... 

The computation of the curvatures from the bulk field differential geometry has proven to be rather imprecise. The errors produced by the use of the approximate formulas (100)-(104) are especially big if the spatial derivatives of the field sharp peaks at the phase interface. This is a common situation in the late-stage kinetics of the phase separating/ordering process, when the order parameter is saturated and the domains are separated by thin walls. Here, to calculate the curvatures, we propose a much more accurate method. It is based on the observation that the local curvatures are quantities that can be inferred solely from the shape of the interface, without appealing to the properties of the bulk field [Pg.212]

Rearrangement of material on the growth surface is allowed by introducing, on the right hand side of Eq. (4.1), terms which depend on the spatial derivatives of h. 

It follows from the above facts that fluids can be treated as continuous media with continuous distributions of properties such as the pressure, density, temperature and velocity. Not only does this imply that it is unnecessary to consider the molecular nature of the fluid but also that meaning can be attached to spatial derivatives, such as the pressure gradient dP/dx, allowing the standard tools of mathematical analysis to be used in solving fluid flow problems. 

For example, all information is lost concerning the relative spatial locations of two random samples. As discussed in Chapter 2, this fact implies that all information concerning the spatial derivatives of the scalar fields is lost when the scalar field is described by its one-point joint PDF. 

As it stands, the last term on the right-hand side of this expression is non-linear in the spatial derivatives and appears to add a new closure problem. However, using the fact that the fluctuation field is solenoidal,... 

The independent variables on which fJK depends are k and t. The principal advantage of using this formulation is that spatial derivatives become summations over wavenumber space. The resulting numerical solutions have higher accuracy compared with finite-difference methods using the same number of grid points. 

In summary, due to the linear nature of the derivative operator, it is possible to express the expected value of a convected derivative of Q in terms of temporal and spatial derivatives of the one-point joint velocity, composition PDF. Two-point information about the random fields U and

expected value and derivative operators commute, and does not appear in the final expression (i.e., (6.9)). 

In transported PDF methods (Pope 2000), the closure model for A, V, ip) will be a known function26 ofV. Thus, (U,Aj) will be closed and will depend on the moments of U and their spatial derivatives.27 Moreover, Reynolds-stress models derived from the PDF transport equation are guaranteed to be realizable (Pope 1994b), and the corresponding consistent scalar flux model can easily be found. We shall return to this subject after looking at typical conditional acceleration and conditional diffusion models. 

Since the mean velocity and Reynolds-stress fields are known given the joint velocity PDF /u(V x, t), the right-hand side of this expression is closed. Thus, in theory, a standard Poisson solver could be employed to find (p)(x, t). However, in practice, (U)(x, t) and (u,Uj)(x, t) must be estimated from a finite-sample Lagrangian particle simulation (Pope 2000), and therefore are subject to considerable statistical noise. The spatial derivatives on the right-hand side of (6.61) are consequently even noisier, and therefore are of no practical use when solving for the mean pressure field. The development of numerical methods to overcome this difficulty has been one of the key areas of research in the development of stand-alone transported PDF codes.38... 

The theory of linear differential equations indicates that long-term evolution depends on the boundary conditions and the determinant of the coefficients preceding the second spatial derivatives (which can actually be considered as effective diffusion coefficients). Such a system is likely to be highly non-linear. One extreme case, however, is particularly interesting in demonstrating how periodic patterns of precipitation can be arrived at. We assume that (i) species i diffuses very fast and dC /dp is large so that P is small and (ii) that species j is much less mobile and P is large. The... 

Following [31], we distinguish between temporal and spatial derivatives. Chiral loops are suppressed by powers of p/AirIF, and higher-order contact terms are suppressed by p/A where p is the momentum. Thus, chiral loops are parametrically small compared to contact terms when the chemical potential is large. 

To determine the movement of molecules, the following algorithm (15) is often used. The force acting on the ith atom in a molecule (Fj) is determined from the spatial derivative of the total interaction potential energy of that particle ... 

The theoretical approach is based on the solution to the mixed type linear/nonlinear generalized Schrodinger equation for spatiotemporal envelope of electrical field with account of transverse spatial derivatives and the transverse profile of refractive index. In the quasi-static approximation, this equation is reduced to the linear/nonlinear Schrodinger equation for spatiotemporal pulse envelope with temporal coordinate given as a parameter. Then the excitation problem can be formulated for a set of stationary light beams with initial amplitude distribution corresponding to temporal envelope of the initial pulse. 

The discretization points and the variables have been defined at, respectively, the centre of the segment and the boundary between two neighbour segments. Standard second-order finite difference approximations were used to discretize the spatial derivatives ... 

Since the resulting system after radial collocation is still too complex for direct mathematical solution, the next step in the solution process is discretization of the two-dimensional system by orthogonal collocation in the axial direction. Although elimination of the spatial derivatives by axial collocation increases the number of equations,8 they become ordinary differential equations and are easily solved using traditional techniques. Since the position and number of points are the only factors affecting the solution obtained by collocation, any set of linearly independent polynomials may be used as trial functions. The Lagrangian polynomials of degree N based on the collocation points... 

The detailed 3D model of porous catalyst is solved in pseudo-steady state. A large set of non-linear algebraic equations is obtained after equidistant discretization of spatial derivatives. This set can be solved by the Gauss-Seidel iteration method (cf. Koci et al., 2007a). 

Here, the first term on the right-hand side gives the net diffusive inflow of species A into the volume element. We have assumed that the diffusive process follows Fick s law and that the diffusion coefficient does not vary with position. The spatial derivative term V2a is the Laplacian operator, defined for a general three-dimensional body in x, y, z coordinates by... 

Fig. 10.2. A typical non-uniform stationary-state profile. Note the vanishing spatial derivative at the end walls (r = 0 and r = a0) appropriate to zero-flux boundary conditions.

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