Computer modelling of the thermal conductivity of polymer systems

The thermal conductivity of polymers, for example, ultra-high molecular weight polyethylene (UHMWPE), has been investigated experimentally. Depending on the draw ratio of the polymer, the thermal properties can vary from a very strong insulator to almost metallic-like values of thermal conductivity.

In this project, long timescale molecular dynamics simulation to investigate the dependence of thermal conductivity on properties of polymeric systems such as UHMWPE. We will investigate the effect of polymer structures (chain length, degree of crystallinity, draw ratio) on thermal conductivity. The overall aim is to understand the microscopic and mesoscopic structures which control the thermal properties of the polymer, and allow us to optimise the properties of polymeric systems for specific applications.