.. _hardsphere:

hardsphere
=======================================================

Hard sphere structure factor, with Percus-Yevick closure

================ =============================== ===== =============
Parameter        Description                     Units Default value
================ =============================== ===== =============
radius_effective effective radius of hard sphere |Ang|            50
volfraction      volume fraction of hard spheres None            0.2
================ =============================== ===== =============

The returned value is a dimensionless structure factor, $S(q)$.


Calculates the interparticle structure factor for monodisperse
spherical particles interacting through hard sphere (excluded volume)
interactions. This $S(q)$ may also be a reasonable approximation for
other particle shapes that freely rotate (but see the note below),
and for moderately polydisperse systems.

.. note::

   This routine is intended for uncharged particles! For charged
   particles try using the :ref:`hayter-msa` $S(q)$ instead.

.. note::

   Earlier versions of SasView did not incorporate the so-called
   $\beta(q)$ ("beta") correction [1] for polydispersity and non-sphericity.
   This is only available in SasView versions 5.0 and higher.

radius_effective is the effective hard sphere radius.
volfraction is the volume fraction occupied by the spheres.

In SasView the effective radius may be calculated from the parameters
used in the form factor $P(q)$ that this $S(q)$ is combined with.

For numerical stability the computation uses a Taylor series expansion
at very small $qR$, but there may be a very minor glitch at the
transition point in some circumstances.

This S(q) uses the Percus-Yevick closure relationship [2] where the
interparticle potential $U(r)$ is

.. math::

    U(r) = \begin{cases}
    \infty & r < 2R \\
    0 & r \geq 2R
    \end{cases}

where $r$ is the distance from the center of a sphere of a radius $R$.

For a 2D plot, the wave transfer is defined as

.. math::

    q = \sqrt{q_x^2 + q_y^2}



.. figure:: img/hardsphere_autogenfig.png

    1D plot corresponding to the default parameters of the model.


**Source**

:download:`hardsphere.py <src/hardsphere.py>`

**References**

#.  M Kotlarchyk & S-H Chen, *J. Chem. Phys.*, 79 (1983) 2461-2469

#.  J K Percus, J Yevick, *J. Phys. Rev.*, 110, (1958) 1

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