Working equations

If there are other kinds of work, similar expressions apply. For example, with electromagnetic work (equation (A2.1.8)1 instead of pressure-volume work, one can write for the Helmholtz free energy... 

This is the working equation for a constant volume calorimeter. Alternatively, a calorimeter can be maintained at constant pressure p equal to the external pressure p in which case... 

The more conventional quantum chemistry methods provide their working equations and energy expressions in temis of one- and two-electron integrals over the final MOs ([Pg.2185]

For separable initial states the single excitation terms can be set to zero at all times at this level of approximation. Eqs. (32),(33),(34) together with the CSP equations and with the ansatz (31) for the total wavefunction are the working equations for the approach. This form, without further extension, is valid only for short time-domains (typically, a few picoseconds at most). For large times, higher correlations, i.e. interactions between different singly and doubly excited states must be included. 

The standard least-squares approach provides an alternative to the Galerkin method in the development of finite element solution schemes for differential equations. However, it can also be shown to belong to the class of weighted residual techniques (Zienkiewicz and Morgan, 1983). In the least-squares finite element method the sum of the squares of the residuals, generated via the substitution of the unknown functions by finite element approximations, is formed and subsequently minimized to obtain the working equations of the scheme. The procedure can be illustrated by the following example, consider... 

The algebraic system given as Equation (2.111) represents the working equation of the 6 method. On the basis of this equation a global set is derived and solved to obtain the unknowns at time level n + using the known values at time level n. 

Application of the weighted residual method to the solution of incompressible non-Newtonian equations of continuity and motion can be based on a variety of different schemes. Tn what follows general outlines and the formulation of the working equations of these schemes are explained. In these formulations Cauchy s equation of motion, which includes the extra stress derivatives (Equation (1.4)), is used to preseiwe the generality of the derivations. However, velocity and pressure are the only field unknowns which are obtainable from the solution of the equations of continuity and motion. The extra stress in Cauchy s equation of motion is either substituted in terms of velocity gradients or calculated via a viscoelastic constitutive equation in a separate step. 

Level of enforcement of the incompressibility condition depends on the magnitude of the penalty parameter. If this parameter is chosen to be excessively large then the working equations of the scheme will be dominated by the incompressibility constraint and may become singular. On the other hand, if the selected penalty parameter is too small then the mass conservation will not be assured. In non-Newtonian flow problems, where shear-dependent viscosity varies locally, to enforce the continuity at the right level it is necessary to maintain a balance between the viscosity and the penalty parameter. To achieve this the penalty parameter should be related to the viscosity as A = Xorj (Nakazawa et al, 1982) where Ao is a large dimensionless parameter and tj is the local viscosity. The recommended value for Ao in typical polymer flow problems is about 10. ... 

Equation (3.8) is the basic working equation of the continuous penalty method. 

The basic procedure for the derivation of a least squares finite element scheme is described in Chapter 2, Section 2.4. Using this procedure the working equations of the least-squares finite element scheme for an incompressible flow are derived as follows ... 

In the decoupled scheme the solution of the constitutive equation is obtained in a separate step from the flow equations. Therefore an iterative cycle is developed in which in each iterative loop the stress fields are computed after the velocity field. The viscous stress R (Equation (3.23)) is calculated by the variational recovery procedure described in Section 1.4. The elastic stress S is then computed using the working equation obtained by application of the Galerkin method to Equation (3.29). The elemental stiffness equation representing the described working equation is shown as Equation (3.32). 

Derivation of the working equations of upwinded schemes for heat transport in a polymeric flow is similar to the previously described weighted residual Petrov-Galerkm finite element method. In this section a basic outline of this derivation is given using a steady-state heat balance equation as an example. 

In this section the governing Stokes flow equations in Cartesian, polar and axisymmetric coordinate systems are presented. The equations given in two-dimensional Cartesian coordinate systems are used to outline the derivation of the elemental stiffness equations (i.e. the working equations) of various finite element schemes. 

Working equations of the U-V-P scheme in Cartesian coordinate systems... 

In Equation (4.12) the discretization of velocity and pressure is based on different shape functions (i.e. NjJ = l,n and Mil= l,m where, in general, mweight function used in the continuity equation is selected as -Mi to retain the symmetry of the discretized equations. After application of Green s theorem to the second-order velocity derivatives (to reduce inter-element continuity requirement) and the pressure terms (to maintain the consistency of the formulation) and algebraic manipulations the working equations of the U-V-P scheme are obtained as... 

Using a procedure similar to the derivation of Equation (4.13) the working equations of the U-V-P scheme for steady-state Stokes flow in a polar (r, 6) coordinate system are obtained on the basis of Equations (4.5) and (4.6) as... 

After application of Green s theorem to the second-order velocity derivatives (to reduce inter-element continuity requirement) and algebraic manipulations the working equations of the continuous penalty scheme are obtained as... 

As it can be seen the working equations of the penalty scheme are more compact than their counterparts obtained for the U-V-P method. 

In some applications it may be necessary to prescribe a pressure datum at a node at the domain boundary. Although pressure has been eliminated from the working equations in the penalty scheme it can be reintroduced through the penalty terms appearing in the boundary line integrals. 

Working equations of the discrete penalty scheme in Cartesian... 

In conjunction with the discrete penalty schemes elements belonging to the Crouzeix-Raviart group arc usually used. As explained in Chapter 2, these elements generate discontinuous pressure variation across the inter-element boundaries in a mesh and, hence, the required matrix inversion in the working equations of this seheme can be carried out at the elemental level with minimum computational cost. 

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