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Journal Article

Interaction potentials for soft and hard ellipsoids

MPS-Authors
http://pubman.mpdl.mpg.de/cone/persons/resource/persons47850

Everaers,  R.
MPI for Polymer Research, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons47837

Ejtehadi,  M. R.
MPI for Polymer Research, Max Planck Society;

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Citation

Everaers, R., & Ejtehadi, M. R. (2003). Interaction potentials for soft and hard ellipsoids. Physical Review E, 67(4): 041710.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-6244-D
Abstract
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.