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Modified Caillé Theory (MCT)

Although paracrystalline theory (PT) is a reasonable first attempt to deal with disorder in multilamellar arrays, one might prefer a scattering theory that allows for bending of the bilayers in addition to fluctuations in the mean spacings between bilayers as well as one that is based on energetics of the fluctuations rather than just an arbitrary stochastic assumption. Such a theory was originally presented by Caillé (1972) who built upon the thermodynamic theory of DeGennes (1974) for smectic liquid crystals. This theory arrives at some quite different conclusions than PT. For example, the mean square fluctuations in the multilayered sample diverge logarithmically with n instead of linearly as in Eq. 2. This has strong consequences for scattering. In particular, for powder samples (Roux and Safinya, 1988; Zhang et al, 1994), the tails of the scattering peaks decay according to the power law behavior

 

The parameter involves the bending modulus K of lipid bilayers and the bulk modulus B for compression

 

Because varies as and because each peak is well separated from other peaks, it is appropriate to report just , which is defined to be the value of at for the h=1 first order peak, recognizing that near the h-th order peak is given by

 

Detailed fitting using classical Caille and domain size theory has given quite good visual fits to scattering peaks from a variety of smectic liquid crystalline systems (Roux and Safinya, 1988).

We have modified the Caillé theory in a recent theoretical paper (Zhang et al, 1994). Our modifications did not affect any of the qualitative results in the preceding paragraph, but they were necessary for obtaining better quantitative fits to data, and particularly for extracting the correct form factors to be used for obtaining electron density profiles. The present paper will use Eqs. (80) and (82) in Zhang et al. (1994): this will be described as modified Caillé theory (MCT).

Despite the much richer and more realistic model for multilamellar arrays, MCT has effectively the same number of parameters for fitting scattering peaks as paracrystalline theory. The parameter in MCT is basically a disorder parameter much like in PT. Numerical values of also translate to mean square nearest neighbor distance fluctuations given by Eq. 1. The derivation requires use of the pair correlation functions (Zhang et al, 1994) and yields

 

The other two basic parameters in both MCT and in PT are the mean size of domains and the root mean square distribution of domain size in Eq. 6.



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Next: Comparison of PT and Up: THEORY Previous: Paracrystalline Theory (PT)



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