Hard superball model: Difference between revisions
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(simplified definition of superball and volume formula) |
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\begin{align} | \begin{align} | ||
v(q,a) & = & 8 a^3 \int_{0}^1 \int_{0}^{(1-x^{2q})^{1/2q}} (1-x^{2q}-y^{2q})^{1/2q} \mathrm{d}\, y \, \mathrm{d}\, x \\ | v(q,a) & = & 8 a^3 \int_{0}^1 \int_{0}^{(1-x^{2q})^{1/2q}} (1-x^{2q}-y^{2q})^{1/2q} \mathrm{d}\, y \, \mathrm{d}\, x \\ | ||
& = & \frac{2a^3\left[ \Gamma\left( | & = & \frac{2a^3\left[ \Gamma\left(1/2q\right) \right]^3}{3q^2\Gamma\left(3/2q\right)}, | ||
\end{align} | \end{align} | ||
</math> | </math> |
Revision as of 22:55, 2 April 2018
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The hard superball model is defined by the inequality
where x, y and z are scaled Cartesian coordinates with q the deformation parameter and radius a. The shape of the superball interpolates smoothly between two Platonic solids, namely the octahedron (q = 0.5) and the cube (q = ∞) via the sphere (q = 1) as shown in the right figure.
Particle Volume
The volume of a superball with the shape parameter q and radius a is given by
where is the Gamma function.
Overlap algorithm
The most widely used overlap algorithm is on the basis of Perram and Wertheim method [1] [2].
Phase diagram
The full phase diagram of hard superballs whose shape interpolates from cubes to octahedra was reported in Ref [2].
References
- ↑ John W. Perram and M. S. Wertheim "Statistical mechanics of hard ellipsoids. I. Overlap algorithm and the contact function", Journal of Computational Physics 58 pp. 409-416 (1985)
- ↑ 2.0 2.1 R. Ni, A.P. Gantapara, J. de Graaf, R. van Roij, and M. Dijkstra "Phase diagram of colloidal hard superballs: from cubes via spheres to octahedra", Soft Matter 8 pp. 8826-8834 (2012)