Computational Study of Thermal Stabilities of Cu Nanorods at Atomic Scale

摘要: Due to its unique mechanical，electrical，optical，chemical，catalytic and biological properties, nano-scale materials such as metal nanorods, have attracted wide attention. In these low-dimensional systems， Cu nanorods are ideal systems in novel electronic nano-devices nano-catalysis. Nowadays the research of nanorod has already become one central subjects nanomaterials science.In this paper, molecular dynamics simulations been used study structural changes during heating within framework embedded atom method (EAM) at atomic scale，and their also studied. During continuously processes, by studying structure on pair distribution function energy changes，they studied for dynamic properties nanorods.The simulation results show that continuous upon heating. At low temperatures, both ordered arrangements with face-centered cubic structures. With increasing temperature，the present from state into disordered state. It is found size shape effect processes. The initial geometry greatly affect change