Premelting of Al nonperfect (1 1 1) surface

Melting behaviors of aluminum (1 1 1) perfect/nonperfect surfaces, characterized by structure ordering parameter, have been investigated by classical molecular dynamics simulation with embedded atom method potential. Al (1 1 1) perfect surface has a superheating temperature above bulk Al melting point T m, in this work, by about 80 K. Al nonperfect (1 1 1) surface has somewhat different local lattice structure from that on (1 1 1) perfect surface. Al nonperfect (1 1 1) surfaces tempt to premelt when temperature is < T m, in our simulation, by about 45 K. Aluminum atoms on the nonperfect surface zones are the sources of surface melting, and have larger velocities than those on the perfect surface zones.