Pre-calculations

As probes must be manufactured individually for each different tube type, the probe development is an important factor for the economic use of the method. The classical procedure of probe development is a combination of experience and experiment. The new probe design is based on the experience with already manufactured probes. For an evaluation of the new design the probe must be manufactured. If the probe design is complicated, for example due to dual exciter coil arrangement or segmented differential detector coil systems, the costs of the development can be very high. Therefore a method for the pre-calculation of the probe performance is extremely useful. 

Chapter 4.3. discusses the explained theory for choosed examples. For several cracks the output is pre-calculated by using the impulse response and compared with measurement data. 

Selected sensor systems are moved over long cracks of different widths. The output signals are pre-calculated by using eq.(6). Measured and pre-calculated data are compared in 4.2.3.. 

Figure 8 Pre-calculated and measured output on a wide crack...

The determined eddy-eurrent parameter is the inductance of the eomplex impedance measured by impedance analyzer at j=100 kHz. Therefore the impulse response function from chapter 4.2.1. is used for calculation. The depth of the cracks is big in comparison to coil size. For presentation the measured and pre-calculated data are related to their maxima (in air). The path X is related to the winding diameter dy of the coil. 

The Web-based graphical user interface permits a choice from numerous criteria and the performance of rapid searches. This service, based on the chemistry information toolkit CACTVS, provides complex Boolean searches. Flexible substructure searches have also been implemented. Users can conduct 3D pharmacophore queries in up to 25 conformations pre-calculated for each compound. Numerous output formats as well as 2D and 3D visuaHzation options are supplied. It is possible to export search results in various forms and with choices for data contents in the exported files, for structure sets ranging in size from a single compound to the entire database. Additional information and down-loadable files (in various formats) can be obtained from this service. 

In contrast to the point charge model, which needs atom-centered charges from an external source (because of the geometry dependence of the charge distribution they cannot be parameterized and are often pre-calculated by quantum mechanics), the relatively few different bond dipoles are parameterized. An elegant way to calculate charges is by the use of so-called bond increments (Eq. (26)), which are defined as the charge contribution of each atom j bound to atom i. 

Notice that we can pre-calculate the quantity VcT A at calibration time. Let s call the result Fcal. Equation [63] becomes... 

For an asymmetrical curve, the end-point can possibly be pre-calculated from the numbers of equivalents required by the reaction equation and from... 

In a batch process the final poly(3HB) content is determined by the specific poly(3HB) formation rate qp (in g poly(3HB) per g poly(3HB)-free dry mass per h) and the duration of the accumulation process (t). It can be pre-calculated according to the following equation ... 

In contrast to the micro- and mesoporous regimes, for which only a few empirical laws for the growth rate and porosity are available, the detailed pore geometry for macropore arrays in n-type silicon can be pre-calculated by a set of equations. This is possible because every pore tip is in a steady-state condition characterized by = JPS [Le9]. This condition enables us to draw conclusions about the porosi-... 

Shot The accurate dispensing of a pre-calculated quantity of mixed polyurethane from a polyurethane-dispensing machine. The shot... 

Extruder modeling can also be used to observe, control, and regulate processes online . The observer is an integral component of the model in this case. The observer calculates measurable or difficult-to-measure process values during an ongoing process. The observer can pre-calculate one or more values which can be measured in order to identify any discrepancies between reference and measured processes values, i. e., a shortcoming in the model. The corrector is another integral part of the model. It can use the observed discrepancies between the model and the measured data to improve the observer model or adjust model characteristics. 

A film is prepared by evaporating the chloroform under argon stream and hydrated with the phosphate buffer saline, pH 7.4 or 5.0 (adjusted by pre-calculated quantity of 1 N HCl). 

The second problem that arises from the use of pre-calculated CS hypersurfaces is the neglect of the molecular environment in the calculation of small model systems. For chemical shift tensors of zwitterionic amino acids this effect was studied by de Dios et Quite large effects were observed for the carbonyl carbons when the crystal lattice was included in the ab initio calculations in the form of a point charge distribution. The an tensor component of L-tyrosine changed by 16 ppm and the 072 tensor component by 37 ppm. The changes for L-threonine were only slightly smaller. 

DISCO, developed by Yvonne Martin s group at Abbott, and the HipHop [24] module of Catalyst, rely upon pre-calculated conformers. For DISCO these can be generated using a standard modeling package. The Catalyst suite includes a mod-... 

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