Interaction potentials for soft and hard ellipsoids

Details Interaction potentials for soft and hard ellipsoids Interaction potentials for soft and hard ellipsoids

2003-06-04

arxiv.org/abs/cond-mat/0306096v1

Phys. Rev. E 67, 041710 (2003)

Physics

Condensed Matter

Soft Condensed Matter

8 pages, 4 figures

Scientific paper

10.1103/PhysRevE.67.041710

Using results from colloid science we derive interaction potentials for computer simulations of mixtures of soft or hard ellipsoids of arbitrary shape and size. Our results are in many respects reminicent of potentials of the Gay-Berne type but have a well-defined microscopic interpretation and no adjustable parameters. Since our potentials require the calculation of similar variables, the modification of existing simulation codes for Gay-Berne potentials is straightforward. The computational performance should remain unaffected.

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