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Derivative difference minimization principle

The principles of DDM are universal and may be used in many diverse areas of powder diffraction and beyond. Future developments will be focused on studying the properties of this procedure and its efficiency in applications to different data. Various options for calculating the derivative difference minimization function and optimal refinement strategies should be subjected to methodical analysis. [Pg.295]

The similarity between the two final expressions as derived in two different frameworks is a surprise because the physical systems are so different. However, the question is if we should be surprised. After all the basic assumption in both frameworks is the minimal principle which states that in order to employ the ordinary SE for charged particles all one has to shift V by V—>> V+ i(e/h)S where S is a vector potential. [Pg.117]

The normal vector n, is defined by the vector gradient of Cg, which can be derived from different finite difference approximations which directly influence the accuracy of algorithms. These include Green-Gauss, volume-average, least-squares, minimization principle, and Young s gradients. It is noted that a wide, symmetric stencil for n,y is necessary for a reasonable estimation of the interface orientation. [Pg.2469]

Effect of Dibutyryl cAMP versus cAMP on Intact Cells The physiological effects of epinephrine should in principle be mimicked by addition of cAMP to the target cells. In practice, addition of cAMP to intact target cells elicits only a minimal physiological response. Why When the structurally related derivative dibutyryl cAMP (shown below) is added to intact cells, the expected physiological response is readily apparent. Explain the basis for the difference in cellular response to these two substances. Dibutyryl cAMP is widely used in studies of cAMP function. [Pg.478]

We now return to Equation A2.3 and substitute into it Equation A2.4. We then obtain A2.7, where N is the total number of basis orbitals being used. The variation principle now has to be applied to A2.7 to find the values of the c s which will give the best iji s possible with the chosen basis. The energy is minimized simultaneously with respect to all the c s by carrying out a partial differentiation with respect to each c and making the derivatives of the energy satisfy A2.8. The result, after some manipulations, is a set of N equations of the form A2.9, where the index i takes a different value for each equation. [Pg.52]

The important features of the sample preparation procedure were as follows. First, the samples were acidified to dissolve normal urine precipitates and to prevent analyte loss by adsorption on the walls of the sample containers (13). Second, the procedure was kept as simple as possible so that the risk of contamination and/or loss was minimized. Third, dilute, normal, and concentrated series of solutions were used to simulate actual urine samples with a wide range of total dissolved solids. Fourth, because the rate of sample nebulization and the corresponding rate of sample introduction into the plasma can be aflFected by changes in the amount of total dissolved solids, internal reference elements were included in each sample and reference solution. The use of analyte/internal reference element net intensity ratios provided a means of correcting for possible diflFerences in sample introduction rate according to the internal reference principle (14,15). Finally, because all of the sample solutions introduced into the plasma were derived from one composite, the different series were known to have trace element concentrations which were related to each other by known dilution factors (see Table IV). [Pg.96]

To some extent, a disciplinary divide is at work here, as probabilistic models derived from population biology and selection theory differ fundamentally from engineering models, which depend on. .. the surface area of isometric bodies, or the structure of branching networks (McNab, 2002, p. 35). This divide entails differences not only in analytic approach, but also in evaluative criteria that have both polarized the dispute and made it difficult to resolve empirically. However, my point is that these tensions do not require a forced choice between explanatory accounts, which are not intrinsically irreconcilable. Internal constraints may fix the allometric baseline, which selection may modify under certain circumstances. One of the postulates of West and co-workers model is that organisms evolve toward an optimal state in which the energy required for resource distribution is minimized (West and Brown, 2004, p. 38). Toward is the key word here, and the extent to which evolution attains any particular optimality target often reflects compromise with other selective demands physical first principles may constrain what is optimal, but do not always determine what is actual. [Pg.333]


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