Atomistic surface erosion and thin film growth modelled over realistic time scales

C Scott, S Blackwell, L Vernon, S Kenny… - The Journal of …, 2011 - pubs.aip.org
We present results of atomistic modelling of surface growth and sputtering using a multi-time
scale molecular dynamics–on-the-fly kinetic Monte Carlo scheme which allows simulations
to be carried out over realistic experimental times. The method uses molecular dynamics to
model the fast processes and then calculates the diffusion barriers for the slow processes on-
the-fly, without any preconceptions about what transitions might occur. The method is
applied to the growth of metal and oxide materials at impact energies typical for both vapour …
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