[fb7fcec] | 1 | .. corfunc_help.rst |
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| 2 | |
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| 3 | Correlation Function Perspective |
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| 4 | ================================ |
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| 5 | |
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| 6 | Description |
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| 7 | ----------- |
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| 8 | |
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| 9 | This perspective performs a correlation function analysis of one-dimensional |
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| 10 | SANS data, or generates a model-independent volume fraction profile from a |
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| 11 | one-dimensional SANS pattern of an adsorbed layer. |
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| 12 | |
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| 13 | The correlation function analysis is performed in 3 stages: |
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| 14 | |
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| 15 | * Extrapolation of the scattering curve to :math:`Q = 0` and |
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| 16 | :math:`Q = \infty` |
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| 17 | * Fourier Transform of the extrapolated data to give the correlation function |
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| 18 | * Interpretation of the 1D correlation function based on an ideal lamellar |
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| 19 | morphology |
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| 20 | |
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| 21 | .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ |
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| 22 | |
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| 23 | Extrapolation |
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| 24 | ------------- |
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| 25 | |
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| 26 | To :math:`Q = 0` |
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| 27 | ^^^^^^^^^^^^^^^^ |
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| 28 | |
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| 29 | The data are extrapolated to Q = 0 by fitting a Guinier model to the data |
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| 30 | points in the lower Q range. |
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| 31 | The equation used is: |
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| 32 | |
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| 33 | .. math:: |
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| 34 | I(Q) = Ae^{Bq^2} |
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| 35 | |
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| 36 | The Guinier model assumes that the small angle scattering arises from particles |
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| 37 | and that parameter :math:`B` is related to the radius of gyration of those |
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| 38 | particles. This has dubious applicability to polymer systems. However, the |
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| 39 | correlation function is affected by the Guinier back-extrapolation to the |
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| 40 | greatest extent at large values of R and so the back-extrapolation only has a |
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| 41 | small effect on the analysis. |
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| 42 | |
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| 43 | To :math:`Q = \infty` |
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| 44 | ^^^^^^^^^^^^^^^^^^^^^ |
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| 45 | |
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| 46 | The data are extrapolated to Q = :math:`\infty` by fitting a Porod model to |
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| 47 | the data points in the upper Q range. |
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| 48 | |
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| 49 | The equation used is: |
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| 50 | |
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| 51 | .. math:: |
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| 52 | I(Q) = B + KQ^{-4}e^{-Q^2\sigma^2} |
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| 53 | |
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| 54 | Where :math:`B` is the Bonart thermal background, :math:`K` is the Porod |
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| 55 | constant, and :math:`\sigma` describes the electron (or neutron scattering |
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| 56 | length) density profile at the interface between crystalline and amorphous |
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| 57 | regions (see figure 1). |
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| 58 | |
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| 59 | .. figure:: fig1.gif |
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| 60 | :align: center |
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| 61 | |
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| 62 | ``Figure 1`` The value of :math:`\sigma` is a measure of the electron |
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| 63 | density profile at the interface between crystalline and amorphous regions. |
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| 64 | |
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| 65 | Smoothing |
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| 66 | ^^^^^^^^^ |
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| 67 | |
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| 68 | The extrapolated data set consists of the Guinier back-extrapolation up to the |
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| 69 | highest Q value of the lower Q range, the original scattering data up to the |
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| 70 | highest value in the upper Q range, and the Porod tail-fit beyond this. The |
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| 71 | joins between the original data and the Guinier/Porod fits are smoothed using |
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| 72 | the algorithm below, to avoid the formation of ripples in the transformd data. |
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| 73 | |
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| 74 | Functions :math:`f(x_i)` and :math:`g(x_i)` where :math:`x_i \in \left\{ {x_1, x_2, ..., x_n} \right\}` |
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| 75 | , are smoothed over the range :math:`[a, b]` to produce :math:`y(x_i)`, by the |
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| 76 | following equations: |
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| 77 | |
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| 78 | .. math:: |
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| 79 | y(x_i) = h_ig(x_i) + (1-h_i)f(x_i) |
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| 80 | |
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| 81 | where: |
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| 82 | |
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| 83 | .. math:: |
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| 84 | h_i = \frac{1}{1 + \frac{(x_i-b)^2}{(x_i-a)^2}} |
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