Volume 77, Number 2, January 2007
|Number of page(s)||5|
|Section||Atomic, Molecular and Optical Physics|
|Published online||12 January 2007|
An exact treatment of ellipsoid-substrate interactions
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
Corresponding author: email@example.com
Accepted: 20 November 2006
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%.
PACS: 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
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