molecular dynamics (MD) simulation

Thermodynamic Behaviors of Nano-Sized Au Clusters on the (001) Surface

Namkung M., Wincheski R.A., NASA Langley Research Center, US

We have studied thermal expansion of the surface layers of the hexagonally reconstructed Au (001) surface using a classical Molecular Dynamics (MD) simulation technique with an Embedded Atomic Method (EAM) type many-body potential. We find [...]