January 17 2003

Average configurations for 2624 atoms (heating results for T>=1000K)

At each temperature level, the positions of atoms were averaged over one hundred configurations. All calculations were taken on the average configuration at each temperature.

The configurations with T>=1000K were heated from that of 900K. Those with lower temperatures are still from the results of cooling. The configurations were collected by constant temperature MD simulations, which rescales the velocities of particles at each time step.

Note in the snapshots the same numbers may not label the same atoms because the number is given by the order of appearance in the configuration files of the surface atoms. In the case that the atoms travel from surface to interior or the reverse, the labels of atoms may change.