Iterative cycle

Using different types of time-stepping techniques Zienkiewicz and Wu (1991) showed that equation set (3.5) generates naturally stable schemes for incompressible flows. This resolves the problem of mixed interpolation in the U-V-P formulations and schemes that utilise equal order shape functions for pressure and velocity components can be developed. Steady-state solutions are also obtainable from this scheme using iteration cycles. This may, however, increase computational cost of the solutions in comparison to direct simulation of steady-state problems. 

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). 

The described algorithm may not yield a converged solution in particular for values of power law index less than 0.5. To ensure convergence, in the iteration cycle (h + 1) for updating of the nodal pressures, an initial value found by... 

The DIIS convergence accelerator is available for all the SCF semiempirical methods. This accelerator may be helpful in curing convergence problems. It often reduces the number of iteration cycles required to reach convergence. However, it may be slower because it requires time to form a linear combination of the Fock matrices during the SCF calculation. The performance of the DIIS accelerator depends, in part, on the power of your computer. 

A guess at this stage. The iteration cycle consists of stages 9-13. 

Reetz MT, Wang LW, Bocola M (2006) Directed evolution of enantioselective enzymes iterative cycles of CASTing for probing protein-sequence space. Angew Chem Int Ed 45 1236-1241... 

The preparation of DNAzyme sensors is usually done in a combinatorial way by producing a random set of DNA strands and selecting the analyte-responsive strands on an affinity column followed by elimination of strands that are sensitive to a broader group of metal ions. In case of success, a DNAzyme with high selectivity and sensitivity is obtained after several iterative cycles. DNAzymes have been found by this process for Cu2+, Pb2+, and U02+ [151-153]. 

Fig. 2.6 Structures of the pheromone binding protein (form A) from the silk moth Bombyx mori [96] obtained in six iterative cycles of combined...

ALS should more correctly be called Alternating Linear Least-Squares as every step in the iterative cycle is a linear least-squares calculation followed by some correction of the results. The main advantage and strength of ALS is the ease with which any conceivable constraint can be implemented its main weakness is the inherent poor convergence. This is a property ALS shares with the very similar methods of Iterative Target Transform Factor Analysis, TTTFA and Iterative Refinement of the Concentration Profiles, discussed in Chapters 5.2.2 and 5.3.3. 

The results in Tab. 11.3 and 11.4 demonstrate that the PEG-bound Ru complex (16) maintains its efficacy through iterative cycles of RCM. Nonetheless, a steady, detectable loss of activity is evident. Slow but competing decomposition of the active species, in this case a moitophosphine carbene ((7), Scheme 11.1), is likely responsible for this trend. Since decomposition of propagating carbene intermedi-... 

A common problem experienced under the current automation paradigm, with the demand for greater results in shorter iteration cycles (1-2 weeks), is that screeners are required to collect data from several single assay workstations, often run on different software platforms. With the demand for results on more compounds per week, the screeners must process more samples through the assays, each with fewer data points and replicates. This trade off in quality for quantity can result in lower overall data fidelity. 

Iterative cycle(s) for structure-based drug design... 

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