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Self-consistent wells

We remind the reader that the following free parameters are employed in the HC model (a) the reduced potential will depth u = 6 o / ( /tb 7) (b) the angular half-width (3 of the well (c) the mean lifetime x, during which a near-order state exists in a liquid and (d) the form-factor / defined as follows / = (flat part of the well s bottom)/(total well s width 2p). The SD model is characterized by (e) the inhomogeneity-potential parameter p of our self-consistent well, (f) the lifetime xstr, of restricted rotation, and (g) the fraction rvib of dipoles performing RR with respect to their total concentration N. [Pg.315]

The three-layer model, as previously mentioned, as well as the multi-layer model, were previously applied to study the behaviour, especially of fiber composites 3A). The three-layer model, based on the self-consistency of phases, gave relationships between stresses and displacements between phases, which, when solved, may give... [Pg.175]

In the case of the monofluorocomplexes of quadrivalent plutonium, it is obvious that the lower values obtained in chloride and nitrate media are due to complexing by these ions these results will not be discussed further. In HCIO4 media the data for the first two fluoride complexes are quite self-consistent and well within the same order of magnitude as these reported for the other quadrivalent actinides (12, 89). An extensive comparison would extend beyond the scope oT tKTs paper. In the case of PuF3+, extrapolation of bi to zero ionic strength is not warranted as such in view of the limited number of data. However, in the case of ThF3+ where the data extend over a very wide range of ionic... [Pg.91]

If such a model is to be self-consistent, it has to include, and to be able to simulate, all the electrochemical responses treated by the previous models as well as all the so-called anomalous effects. 180-183 Any variable acting on those anomalous effects has to be described by the model without need of further development. [Pg.374]

The electrostatic energy is calculated using the distributed multipolar expansion introduced by Stone [39,40], with the expansion carried out through octopoles. The expansion centers are taken to be the atom centers and the bond midpoints. So, for water, there are five expansion points (three at the atom centers and two at the O-H bond midpoints), while in benzene there are 24 expansion points. The induction or polarization term is represented by the interaction of the induced dipole on one fragment with the static multipolar field on another fragment, expressed in terms of the distributed localized molecular orbital (LMO) dipole polarizabilities. That is, the number of polarizability points is equal to the number of bonds and lone pairs in the molecule. One can opt to include inner shells as well, but this is usually not useful. The induced dipoles are iterated to self-consistency, so some many body effects are included. [Pg.201]

Different investigations of the possible connection between rotation and the Li dip have appeared in the literature. Most relied on highly simplified descriptions of the rotation-induced mixing processes. In the MC model of Tassoul Tassoul (1982) used by Charbonneau Michaud (1988), the feed-back effect due to angular momentum (hereafter AM) transport as well as the induced turbulence were ignored. Following Zahn (1992), Charbonnel et al. (1992, 1994) considered the interaction between MC and turbulence induced by rotation, but the transport of AM was not treated self-consistently. [Pg.278]


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