Nano-Science Simulation Group
Centre For Numerical Modelling & Process Analysis
School of Computing & Mathematical Sciences
University of Greenwich, Woolwich Campus, Wellington Street
London SE18 6PF United Kingdom
The nano-scale simulation of the two-dimensional melting of metallic thin films can provide deep insight into the possible orders involved in the phase transition from the solid to liquid state, and the atomistic structure of the liquid state itself.
This problem is also of importance within the basic physical science for exploring the differences between the three- dimensional and two-dimensional behaviour of matter.
We have employed large-scale Molecular Dynamics(MD) simulation to study the 2-D melting transition of an Aluminium thin film. Our classical MD simulation is based on the state-of- the-art long-range many-body interatomic potentials of the Finnis-Sinclair type that we have formulated for the atomistic modelling of the whole class of FCC metals and their alloys.
We have observed second order phase transitions in our simulation leading to a liquid state containing pronounced vacancy aggregations.
Three-dimensional computer-generated geometries are produced and used for the animation of the melting transition process
**The presenting author