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An exact treatment of ellipsoid-substrate interactions

Babadi, M ; Sharif University of Technology | 2007

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  1. Type of Document: Article
  2. DOI: 10.1209/0295-5075/77/23002
  3. Publisher: 2007
  4. Abstract:
  5. 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%. Copyright © EPLA, 2007
  6. Keywords:
  7. Nematic ; Liquid crystals ; Berne
  8. Source: EPL ; Volume 77, Issue 2 , 2007 ; 02955075 (ISSN)
  9. URL: https://epljournal.edpsciences.org/articles/epl/abs/2007/02/epl10037/epl10037.html