Molecular Dynamics Simulation of Elastomers and Elastomer-Filler Interactions

Principal investigator: James BUSFIELD
Co-investigator(s): W. Kyoung and
Funding source(s): Hyundai Motor Company
 Start: 01-06-2013  /  End: 31-05-2014
 Amount: £87,720
Directly incurred staff: Woomin Kyoung
Molecular dynamics representation of a polymeric network.

This programme aims to use both atomistic and course grained molecular dynamics to model the behaviour of rubber materials under strain. The aim being to use the models to develop better constitutive models to create more robust and realistic continuum mechanics models. In particular we are examining how crosslinking is developed, how the glass transition is determined and how polymers interact with filler surfaces under strain.