Simulations on multilayer relaxations of aluminum surfaces

Simulations on multilayer surface relaxations of aluminum were performed us ing bond order potentials. For comparison, we also performed the same simul ations using a simple model, the embedding atom method. Simulations using t he embedding atom method failed but those using bond order potential were s uccessful in reproducing the oscillatory damped behavior of rough surfaces and the expansion of the (111) surface. Further investigations of the exist ing forces by means of either model revealed that the surface relaxations c an be understood in term of the forces existing under unrelaxed conditions.