Conference On Molecules to Materials: ICMM2006

Section-4 Continued; Figs 6 -9
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Bulk solid specimen shape dependences in the molecular, chemical-shift tensor determinations
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For an elaboration on the intramolecular aspects of induced fileds (measured as Chemical shifts) Click on Link:

Summation Discrete Region
From Proceedings of ICMM2006 ; icmm06_fig.6.jpg
Summation within Lorentz Sphere Cubic Lattice

The lowest line is corresponding to cubic lattice and for all values of the radius the value is zero. Note that the Y-axis values are ranging from 10 -8 to 10 -3. Hence what were appearing to be very different values in the top right all seem to be contained along the x-axis line for zero in the lower plot. This is precisely it was earlier remarked that all the values in the above are said to be practically zero. Thus a variation in ellipticity from 1.0 (sphere-the lowest dark blue line) to 1.25 the top green line on the x-axis when the radius measures from 48 to 186 angstroms there is significant increase in the sum with ellipticity. Beyond 186 there is a sharp variation in the summed values for all ellipticities. And, by 240 angstroms all the lines (for all ellipticities) have dropped to coincide with zero line. This establishes the observation that ellipsoid has the same sum total value as sphere for cubic lattices. The Fig.8 to follow contains the results for summing for non-cubic lattice and the inner semi micro element for discrete summation is a sphere. The y-axis values range from 10 r.p.of -8 to 10 r.p.of -3 [r.p.of=Abr(raised to power of)]as in the previous case and the different lines for different lattice constants. This can be provided a comparison with an inner ellipsoid. In Fig.8 the pink line has been made a special mention of at the caption. It is the lattice constant value corresponding to the pink colored line which is chosen and held fixed for the next plot as in Fig.9. Thus the Y-axis value for this pink line in Fig.8 will be the convergent value for all the lines in the graph of Fig.9 as on the Y-axis

Discrete Summation Inner Volume Elments IVE
CLICK on this image for Full View : fig.7..jpg
Lorentz (IVE) Sphere and Ellipsoids; Click on picture for full view
Discrete Summation Inner Volume Element IVE
CLICK HERE for Full View : icmm06_fig.8..jpg
Sperical IVE ; Noncubic Lattice: CLICK on picture for Full View
Discrete Summation Inner Volume Element (IVE)
CLICK HERE for full View: icmm06_fig.9..jpg
Non Cubic Lattice with Ellipsoidal IVE: CLICK on picture for Full View

Click on the link below to display a webpage with links to contributions to events during July 2005 to February 2006.


The contents of pages: index, id1, id2, id3, & id4 of this ite contain the text of the
Full Paper appearing in the Proceedings of ICMM2006 March 3-6, 2006
Section on Materials for the Furure page 13-18; Article #2.3
The contents of page id5 is the Abstract for EPISTEME-2
The contents of page id6 is on EUROMAR2006