A nonlinear continuum model of van der Waals interactions in crystalline polymers

摘要

A nonlinear continuum model of van der Waals interactions is established to relate the size-dependent nonlinear properties of crystalline polyethylene. The explicit formulas are derived from the Lennard-Jones potential function for the van der Waals force between any two polymer chains. The present results are in reasonable agreement with those from present united-atom molecular dynamics simulations. This work is a new effort to establish nonlinear analytical models of molecular mechanics for crystalline polymers, and it should be helpful to provide an efficient route for mechanical characterization of crystalline polymers and related materials.