Abstract
An analytical molecular mechanics model is developed to obtain the size-dependent elastic properties of crystalline polyethylene. An effective "stick-spiral" model is adopted in the polymer chain. Explicit equations are derived from the Lennard-Jones potential function for the van der Waals force between any two polymer chains. By using the derived formulas, the nine size-dependent elastic constants are investigated systematically. The present analytical results are in reasonable agreement with those from present united-atom molecular dynamics simulations. The established analytical model provides an efficient route for mechanical characterization of crystalline polymers and related materials toward nanoelectromechanical applications.
Original language | English |
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Article number | 241902 |
Journal | Applied Physics Letters |
Volume | 99 |
Issue number | 24 |
DOIs | |
Publication status | Published - 2011 Dec 12 |
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)