Deposition and sintering of ultrafine metal particles on metal oxide support as investigated by molecular dynamics and computer graphics

Abstract

The structure and dynamics of Au clusters, deposition process of Au cluster on MgO(100) and sintering process of two Au clusters on MgO(100) were investigated by using the molecular dynamics(MD) method and computer graphics(CG). In contrast to the behavior of bulk Au crystal, the Au atoms in the Au cluster moved considerably with time even at 300 K. In agreement with the mobility of Au cluster, the shape of Au cluster changed significantly during the deposition process of Au cluster on MgO(100) plane. The sintering process of two Au clusters were also simulated at 300 K. Dynamic visualization of these processes clearly demonstrated the mobility of Au atoms in the cluster.