Dr Dorothy Duffy

My research is concerned with modelling materials and material processes using simulation techniques such as Molecular Dynamics (MD). Currently my main focus is on modelling radiation damage in materials for nuclear power and other applications. I have developed a method for including the effects of electronic excitations, which are thought to be important for high energy radiation particles, in radiation damage simulations.

I am also interested the effect of organic molecules on inorganic crystal growth. Living organisms have a remarkable ability to control the shape and orientation of crystals, resulting in exceptionally tough minerals, or shells with intricate shapes. Complex organic molecules are known to play an important role in this control, but the detailed mechanism is not well understood. I model interfaces between organic monolayers and calcite crystals in order to gain insight into the growth control mechanism.