An exact treatment of ellipsoid-substrate interactionsM. Babadi1 and M. R. Ejtehadi1, 2
1 Sharif University of Technology, Department of Physics - P.O. Box 11365-9161, Tehran, Iran
2 Institute for Studies in Theoretical Physics and Mathematics - P.O. Box 19395-5531, Tehran, Iran
received 30 October 2006; accepted in final form 20 November 2006; published January 2007
published online 12 January 2007
We present an exact treatment of the pairwise surface interactions of biaxial ellipsoidal bodies and derive the exact explicit expressions for the attractive-repulsive Lennard-Jones(6-12) ellipsoid-substrate interactions. The applicability of the results at nanoscale as a coarse-grained description of molecule-substrate interactions has been studied through presenting parameterizations for a number of small biaxial molecules. The study concludes that the anisotropic coarse-grained potential reproduces the atomistic interactions of ellipsoid-like rigid molecules perfectly, with a negligible error of less than 3%.
34.50.Dy - Interaction of atoms and molecules with surfaces .
82.70.Dd - Colloids .
61.30.-v - Molecular and microscopic theories of liquid crystal structure .
© Europhysics Letters Association 2007