Abstract
In this report, we give an overview on the calculation of the tensile properties of rubber using molecular dynamics simulation. Firstly, a coarse grained cross-linked polymer (rubber) model is built. Next three modes of deformation, which are simple extension, pure shear and equi-biaxial extension, are applied to the rubber model during molecular dynamics simulations. Then the tensile forces under the corresponding strains are extracted from the molecular dynamics simulation data, and three kinds of stress-strain relations are obtained for the rubber model. These stress-strain relations are fitted to the three-term Ogden formula as are done for the hyperelastic modeling of the real rubber.
