SURFACE DISORDERING, ROUGHENING AND PREMELTING OF AG(110)

We have examined the structure and the dynamics of Ag(110) from 300 to 1100 K using reliable, many-body interaction potentials and molecular dynamics simulations. It is seen that the surface in-plane vibrations are larger and more anharmonic than the out-of-plane vibration, and l ead to the disordering of the surface through the formation of vacanci es and adatoms. The results indicate that the surface begins to disord er around 750 K, it roughens around 930 K and premelts at about 1000 K . Results are compared with existing experimental data.