We have investigated the melting behaviour of AuN (N = 12 - 14) clusters by means of molecular dynamics simulation on the basis of the Voter - Chen version of the embedded-atom method. The melting behaviour of the clusters ...

Parallel molecular dynamics simulation study of the ion-surface collision system is reported. A sequential molecular dynamics simulation program is converted into a parallel code utilizing the concept of parallel virtual ...

The electronic and geometric structures, total and binding energies, first and second energy differences, harmonic frequencies, point symmetries, and highest occupied molecular orbital–lowest unoccupied molecular orbital ...

An Ar+-Ni(1 0 0) collision system at 1 keV impact energy was investigated by using realistic isoenergetic molecular dynamics (MD) simulations. The sputtering process upon Ar+ ion impact and damage to the Ni(1 0 0) surface ...